5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one

C24H27ClN6O4 — CID 146426582

IUPAC5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one
SMILESCNc1cc(Nc2cc(Cl)cn([C@H]3CCCOC3)c2=O)nc2c(C(=O)CC3[C@H]4COC[C@@H]34)cnn12
InChIInChI=1S/C24H27ClN6O4/c1-26-22-7-21(28-19-5-13(25)9-30(24(19)33)14-3-2-4-34-10-14)29-23-16(8-27-31(22)23)20(32)6-15-17-11-35-12-18(15)17/h5,7-9,14-15,17-18,26H,2-4,6,10-12H2,1H3,(H,28,29)/t14-,15?,17-,18+/m0/s1
InChIKeyZCWOTWADLZSAJB-UNPWZGGWSA-N
MW498.97 g/mol
LogP3.15
Rot. Bonds7

About 5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one

5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one (PubChem CID 146426582) has the molecular formula C24H27ClN6O4 and a molecular weight of 498.97 g/mol. Its IUPAC name is 5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one
PubChem CID146426582
Molecular FormulaC24H27ClN6O4
Molecular Weight498.97 g/mol
Exact Mass498.18
IUPAC Name5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one
SMILESCNc1cc(Nc2cc(Cl)cn([C@H]3CCCOC3)c2=O)nc2c(C(=O)CC3[C@H]4COC[C@@H]34)cnn12
InChIInChI=1S/C24H27ClN6O4/c1-26-22-7-21(28-19-5-13(25)9-30(24(19)33)14-3-2-4-34-10-14)29-23-16(8-27-31(22)23)20(32)6-15-17-11-35-12-18(15)17/h5,7-9,14-15,17-18,26H,2-4,6,10-12H2,1H3,(H,28,29)/t14-,15?,17-,18+/m0/s1
InChIKeyZCWOTWADLZSAJB-UNPWZGGWSA-N
XLogP3.15
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.97
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one?
The IUPAC name of 5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one (CID 146426582) is 5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one.
What is the SMILES notation for 5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one?
The canonical SMILES for 5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one is CNc1cc(Nc2cc(Cl)cn([C@H]3CCCOC3)c2=O)nc2c(C(=O)CC3[C@H]4COC[C@@H]34)cnn12.
What is the InChIKey of 5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one?
The InChIKey is ZCWOTWADLZSAJB-UNPWZGGWSA-N. The full InChI is InChI=1S/C24H27ClN6O4/c1-26-22-7-21(28-19-5-13(25)9-30(24(19)33)14-3-2-4-34-10-14)29-23-16(8-27-31(22)23)20(32)6-15-17-11-35-12-18(15)17/h5,7-9,14-15,17-18,26H,2-4,6,10-12H2,1H3,(H,28,29)/t14-,15?,17-,18+/m0/s1.
What are the key properties of 5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one?
5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one has a molecular weight of 498.97 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[7-(methylamino)-3-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3S)-oxan-3-yl]pyridin-2-one is sourced from PubChem (CID 146426582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).