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

C22H27N7O4 — CID 137449246

IUPACN-[(1R,2R)-2-methoxycyclopropyl]-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]3C[C@H]3OC)cnn12
InChIInChI=1S/C22H27N7O4/c1-23-19-11-18(25-15-4-3-7-28(22(15)31)13-5-8-33-9-6-13)27-20-14(12-24-29(19)20)21(30)26-16-10-17(16)32-2/h3-4,7,11-13,16-17,23H,5-6,8-10H2,1-2H3,(H,25,27)(H,26,30)/t16-,17-/m1/s1
InChIKeyQOGDLYZWQZKAAE-IAGOWNOFSA-N
MW453.50 g/mol
LogP1.54
Rot. Bonds7

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

N-[(1R,2R)-2-methoxycyclopropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449246) has the molecular formula C22H27N7O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxycyclopropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxycyclopropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449246
Molecular FormulaC22H27N7O4
Molecular Weight453.50 g/mol
Exact Mass453.21
IUPAC NameN-[(1R,2R)-2-methoxycyclopropyl]-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]3C[C@H]3OC)cnn12
InChIInChI=1S/C22H27N7O4/c1-23-19-11-18(25-15-4-3-7-28(22(15)31)13-5-8-33-9-6-13)27-20-14(12-24-29(19)20)21(30)26-16-10-17(16)32-2/h3-4,7,11-13,16-17,23H,5-6,8-10H2,1-2H3,(H,25,27)(H,26,30)/t16-,17-/m1/s1
InChIKeyQOGDLYZWQZKAAE-IAGOWNOFSA-N
XLogP1.54
TPSA123.81 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(1R,2R)-2-methoxycyclopropyl]-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,2R)-2-methoxycyclopropyl]-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,2R)-2-methoxycyclopropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449246) is N-[(1R,2R)-2-methoxycyclopropyl]-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,2R)-2-methoxycyclopropyl]-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,2R)-2-methoxycyclopropyl]-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]3C[C@H]3OC)cnn12.
What is the InChIKey of N-[(1R,2R)-2-methoxycyclopropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QOGDLYZWQZKAAE-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H27N7O4/c1-23-19-11-18(25-15-4-3-7-28(22(15)31)13-5-8-33-9-6-13)27-20-14(12-24-29(19)20)21(30)26-16-10-17(16)32-2/h3-4,7,11-13,16-17,23H,5-6,8-10H2,1-2H3,(H,25,27)(H,26,30)/t16-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxycyclopropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2R)-2-methoxycyclopropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxycyclopropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).