5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H26ClN7O4 — CID 137441468

IUPAC5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(Cl)cn(C3CCCOC3)c2=O)nc2c(C(=O)NC3[C@H]4COC[C@@H]34)cnn12
InChIInChI=1S/C23H26ClN7O4/c1-25-19-6-18(27-17-5-12(24)8-30(23(17)33)13-3-2-4-34-9-13)28-21-14(7-26-31(19)21)22(32)29-20-15-10-35-11-16(15)20/h5-8,13,15-16,20,25H,2-4,9-11H2,1H3,(H,27,28)(H,29,32)/t13?,15-,16+,20?
InChIKeyNSBSQMIETAHWBE-HVXKKOQHSA-N
MW499.96 g/mol
LogP2.06
Rot. Bonds6

About 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441468) has the molecular formula C23H26ClN7O4 and a molecular weight of 499.96 g/mol. Its IUPAC name is 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137441468
Molecular FormulaC23H26ClN7O4
Molecular Weight499.96 g/mol
Exact Mass499.17
IUPAC Name5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(Cl)cn(C3CCCOC3)c2=O)nc2c(C(=O)NC3[C@H]4COC[C@@H]34)cnn12
InChIInChI=1S/C23H26ClN7O4/c1-25-19-6-18(27-17-5-12(24)8-30(23(17)33)13-3-2-4-34-9-13)28-21-14(7-26-31(19)21)22(32)29-20-15-10-35-11-16(15)20/h5-8,13,15-16,20,25H,2-4,9-11H2,1H3,(H,27,28)(H,29,32)/t13?,15-,16+,20?
InChIKeyNSBSQMIETAHWBE-HVXKKOQHSA-N
XLogP2.06
TPSA123.81 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.96
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441468) is 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(Cl)cn(C3CCCOC3)c2=O)nc2c(C(=O)NC3[C@H]4COC[C@@H]34)cnn12.
What is the InChIKey of 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NSBSQMIETAHWBE-HVXKKOQHSA-N. The full InChI is InChI=1S/C23H26ClN7O4/c1-25-19-6-18(27-17-5-12(24)8-30(23(17)33)13-3-2-4-34-9-13)28-21-14(7-26-31(19)21)22(32)29-20-15-10-35-11-16(15)20/h5-8,13,15-16,20,25H,2-4,9-11H2,1H3,(H,27,28)(H,29,32)/t13?,15-,16+,20?.
What are the key properties of 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 499.96 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).