N-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C50H56N12O8 — CID 135354404

IUPACN-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N(C[C@@H]1CCC[C@@H]1O)C2)c1cnn2cccnc12.O=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N(C[C@H]1CCC[C@H]1O)C2)c1cnn2cccnc12
InChIInChI=1S/2C25H28N6O4/c2*32-22-4-1-3-16(22)14-30-15-17-11-20(21(12-18(17)25(30)34)29-7-9-35-10-8-29)28-24(33)19-13-27-31-6-2-5-26-23(19)31/h2*2,5-6,11-13,16,22,32H,1,3-4,7-10,14-15H2,(H,28,33)/t2*16-,22-/m10/s1
InChIKeyDJUWJBIAEVKYDJ-RWVZWSNLSA-N
MW953.07 g/mol
LogP3.87
Rot. Bonds10

About N-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135354404) has the molecular formula C50H56N12O8 and a molecular weight of 953.07 g/mol. Its IUPAC name is N-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135354404
Molecular FormulaC50H56N12O8
Molecular Weight953.07 g/mol
Exact Mass952.43
IUPAC NameN-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N(C[C@@H]1CCC[C@@H]1O)C2)c1cnn2cccnc12.O=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N(C[C@H]1CCC[C@H]1O)C2)c1cnn2cccnc12
InChIInChI=1S/2C25H28N6O4/c2*32-22-4-1-3-16(22)14-30-15-17-11-20(21(12-18(17)25(30)34)29-7-9-35-10-8-29)28-24(33)19-13-27-31-6-2-5-26-23(19)31/h2*2,5-6,11-13,16,22,32H,1,3-4,7-10,14-15H2,(H,28,33)/t2*16-,22-/m10/s1
InChIKeyDJUWJBIAEVKYDJ-RWVZWSNLSA-N
XLogP3.87
TPSA224.60 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.07
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze N-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135354404) is N-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N(C[C@@H]1CCC[C@@H]1O)C2)c1cnn2cccnc12.O=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N(C[C@H]1CCC[C@H]1O)C2)c1cnn2cccnc12.
What is the InChIKey of N-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DJUWJBIAEVKYDJ-RWVZWSNLSA-N. The full InChI is InChI=1S/2C25H28N6O4/c2*32-22-4-1-3-16(22)14-30-15-17-11-20(21(12-18(17)25(30)34)29-7-9-35-10-8-29)28-24(33)19-13-27-31-6-2-5-26-23(19)31/h2*2,5-6,11-13,16,22,32H,1,3-4,7-10,14-15H2,(H,28,33)/t2*16-,22-/m10/s1.
What are the key properties of N-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 953.07 g/mol, XLogP of 3.87, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135354404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).