N-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine

C25H30N8O — CID 118348593

IUPACN-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c3c([nH]c2cc1-c1c(C)nn(C)c1C)NC(C)N=C3Nc1cc(C2CC2)nn1C
InChIInChI=1S/C25H30N8O/c1-12-22(13(2)32(4)30-12)17-9-19-16(10-20(17)34-6)23-24(28-19)26-14(3)27-25(23)29-21-11-18(15-7-8-15)31-33(21)5/h9-11,14-15,26,28H,7-8H2,1-6H3,(H,27,29)
InChIKeyMCSKFNQLXQCQMI-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.43
Rot. Bonds4

About N-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine (PubChem CID 118348593) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine
PubChem CID118348593
Molecular FormulaC25H30N8O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c3c([nH]c2cc1-c1c(C)nn(C)c1C)NC(C)N=C3Nc1cc(C2CC2)nn1C
InChIInChI=1S/C25H30N8O/c1-12-22(13(2)32(4)30-12)17-9-19-16(10-20(17)34-6)23-24(28-19)26-14(3)27-25(23)29-21-11-18(15-7-8-15)31-33(21)5/h9-11,14-15,26,28H,7-8H2,1-6H3,(H,27,29)
InChIKeyMCSKFNQLXQCQMI-UHFFFAOYSA-N
XLogP4.43
TPSA97.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine
CID 118348606
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine
CID 118348574
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-1-amine
CID 118340621
4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine
CID 159248861
4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine;methane
CID 160854452
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine
CID 118348585
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine
CID 137001014
N-(3-cyclopropyl-1-ethylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-(methoxymethyl)-9H-pyrimido[4,5-b]indol-4-amine
CID 122508095
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carbaldehyde
CID 145384626
3-cyclopropyl-5-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]amino]pyrazole-1-carboxylic acid
CID 146190548
N-(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-(methoxymethyl)-9H-pyrimido[4,5-b]indol-4-amine
CID 122508091
4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-amine;3-cyclopropyl-1-methylpyrazol-5-amine;4-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-amine;methane
CID 159359703

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine (CID 118348593) is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine is COc1cc2c3c([nH]c2cc1-c1c(C)nn(C)c1C)NC(C)N=C3Nc1cc(C2CC2)nn1C.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is MCSKFNQLXQCQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O/c1-12-22(13(2)32(4)30-12)17-9-19-16(10-20(17)34-6)23-24(28-19)26-14(3)27-25(23)29-21-11-18(15-7-8-15)31-33(21)5/h9-11,14-15,26,28H,7-8H2,1-6H3,(H,27,29).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine?
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 458.57 g/mol, XLogP of 4.43, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-methoxy-2-methyl-7-(1,3,5-trimethylpyrazol-4-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 118348593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).