methane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine

C84H94Cl3N18O6P — CID 161374608

IUPACmethane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine
SMILESC.CC(C)c1c[nH]n2c(=O)cc(-c3cccnc3)nc12.CC(C)c1c[nH]n2c(=O)cc(-c3cccnc3)nc12.CC(C)c1cn[nH]c1N.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)cc(-c3cccnc3)nc12.COC(=O)CC(=O)c1cccnc1.N[C@@H]1CCC2=C(C1)c1ccccc1C2.O=P(Cl)(Cl)Cl
InChIInChI=1S/C27H27N5.2C14H14N4O.C13H15N.C9H9NO3.C6H11N3.CH4.Cl3OP/c1-17(2)24-16-29-32-26(14-25(31-27(24)32)20-7-5-11-28-15-20)30-21-10-9-19-12-18-6-3-4-8-22(18)23(19)13-21;2*1-9(2)11-8-16-18-13(19)6-12(17-14(11)18)10-4-3-5-15-7-10;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;1-13-9(12)5-8(11)7-3-2-4-10-6-7;1-4(2)5-3-8-9-6(5)7;;1-5(2,3)4/h3-8,11,14-17,21,30H,9-10,12-13H2,1-2H3;2*3-9,16H,1-2H3;1-4,11H,5-8,14H2;2-4,6H,5H2,1H3;3-4H,1-2H3,(H3,7,8,9);1H4;/t21-;;;11-;;;;/m1..1..../s1
InChIKeyBYOJAIHUNWKXFE-HQVQWJLNSA-N
MW1589.13 g/mol
LogP18.20
Rot. Bonds12

About methane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine

methane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine (PubChem CID 161374608) has the molecular formula C84H94Cl3N18O6P and a molecular weight of 1589.13 g/mol. Its IUPAC name is methane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine.

Molecular Properties

Compound Namemethane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine
PubChem CID161374608
Molecular FormulaC84H94Cl3N18O6P
Molecular Weight1589.13 g/mol
Exact Mass1586.64
IUPAC Namemethane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine
SMILESC.CC(C)c1c[nH]n2c(=O)cc(-c3cccnc3)nc12.CC(C)c1c[nH]n2c(=O)cc(-c3cccnc3)nc12.CC(C)c1cn[nH]c1N.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)cc(-c3cccnc3)nc12.COC(=O)CC(=O)c1cccnc1.N[C@@H]1CCC2=C(C1)c1ccccc1C2.O=P(Cl)(Cl)Cl
InChIInChI=1S/C27H27N5.2C14H14N4O.C13H15N.C9H9NO3.C6H11N3.CH4.Cl3OP/c1-17(2)24-16-29-32-26(14-25(31-27(24)32)20-7-5-11-28-15-20)30-21-10-9-19-12-18-6-3-4-8-22(18)23(19)13-21;2*1-9(2)11-8-16-18-13(19)6-12(17-14(11)18)10-4-3-5-15-7-10;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;1-13-9(12)5-8(11)7-3-2-4-10-6-7;1-4(2)5-3-8-9-6(5)7;;1-5(2,3)4/h3-8,11,14-17,21,30H,9-10,12-13H2,1-2H3;2*3-9,16H,1-2H3;1-4,11H,5-8,14H2;2-4,6H,5H2,1H3;3-4H,1-2H3,(H3,7,8,9);1H4;/t21-;;;11-;;;;/m1..1..../s1
InChIKeyBYOJAIHUNWKXFE-HQVQWJLNSA-N
XLogP18.20
TPSA335.26 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001589.13
LogP ≤ 518.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze methane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine?
The IUPAC name of methane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine (CID 161374608) is methane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine.
What is the SMILES notation for methane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine?
The canonical SMILES for methane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine is C.CC(C)c1c[nH]n2c(=O)cc(-c3cccnc3)nc12.CC(C)c1c[nH]n2c(=O)cc(-c3cccnc3)nc12.CC(C)c1cn[nH]c1N.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)cc(-c3cccnc3)nc12.COC(=O)CC(=O)c1cccnc1.N[C@@H]1CCC2=C(C1)c1ccccc1C2.O=P(Cl)(Cl)Cl.
What is the InChIKey of methane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine?
The InChIKey is BYOJAIHUNWKXFE-HQVQWJLNSA-N. The full InChI is InChI=1S/C27H27N5.2C14H14N4O.C13H15N.C9H9NO3.C6H11N3.CH4.Cl3OP/c1-17(2)24-16-29-32-26(14-25(31-27(24)32)20-7-5-11-28-15-20)30-21-10-9-19-12-18-6-3-4-8-22(18)23(19)13-21;2*1-9(2)11-8-16-18-13(19)6-12(17-14(11)18)10-4-3-5-15-7-10;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;1-13-9(12)5-8(11)7-3-2-4-10-6-7;1-4(2)5-3-8-9-6(5)7;;1-5(2,3)4/h3-8,11,14-17,21,30H,9-10,12-13H2,1-2H3;2*3-9,16H,1-2H3;1-4,11H,5-8,14H2;2-4,6H,5H2,1H3;3-4H,1-2H3,(H3,7,8,9);1H4;/t21-;;;11-;;;;/m1..1..../s1.
What are the key properties of methane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine?
methane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine has a molecular weight of 1589.13 g/mol, XLogP of 18.20, 12 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine is sourced from PubChem (CID 161374608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).