N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H31N7O4 — CID 137449253

IUPACN-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCOCC3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H](OC)C3)cnn12
InChIInChI=1S/C24H31N7O4/c1-25-21-13-20(28-19-4-3-9-30(24(19)33)16-7-10-35-11-8-16)29-22-18(14-26-31(21)22)23(32)27-15-5-6-17(12-15)34-2/h3-4,9,13-17,25H,5-8,10-12H2,1-2H3,(H,27,32)(H,28,29)/t15-,17-/m1/s1
InChIKeyKOJLCOHGIIJZTB-NVXWUHKLSA-N
MW481.56 g/mol
LogP2.33
Rot. Bonds7

About N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449253) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449253
Molecular FormulaC24H31N7O4
Molecular Weight481.56 g/mol
Exact Mass481.24
IUPAC NameN-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCOCC3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H](OC)C3)cnn12
InChIInChI=1S/C24H31N7O4/c1-25-21-13-20(28-19-4-3-9-30(24(19)33)16-7-10-35-11-8-16)29-22-18(14-26-31(21)22)23(32)27-15-5-6-17(12-15)34-2/h3-4,9,13-17,25H,5-8,10-12H2,1-2H3,(H,27,32)(H,28,29)/t15-,17-/m1/s1
InChIKeyKOJLCOHGIIJZTB-NVXWUHKLSA-N
XLogP2.33
TPSA123.81 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449253) is N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCOCC3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H](OC)C3)cnn12.
What is the InChIKey of N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KOJLCOHGIIJZTB-NVXWUHKLSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-25-21-13-20(28-19-4-3-9-30(24(19)33)16-7-10-35-11-8-16)29-22-18(14-26-31(21)22)23(32)27-15-5-6-17(12-15)34-2/h3-4,9,13-17,25H,5-8,10-12H2,1-2H3,(H,27,32)(H,28,29)/t15-,17-/m1/s1.
What are the key properties of N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).