1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one

C22H25FN6O3 — CID 153486181

IUPAC1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
SMILESCNc1cc(Nc2cccn([C@@H]3C[C@H]3F)c2=O)nc2c(C(=O)C[C@H]3CC[C@@H](O)C3)cnn12
InChIInChI=1S/C22H25FN6O3/c1-24-20-10-19(26-16-3-2-6-28(22(16)32)17-9-15(17)23)27-21-14(11-25-29(20)21)18(31)8-12-4-5-13(30)7-12/h2-3,6,10-13,15,17,24,30H,4-5,7-9H2,1H3,(H,26,27)/t12-,13+,15+,17+/m0/s1
InChIKeyCXBGWAKSWAWLNC-TZDHZFECSA-N
MW440.48 g/mol
LogP2.69
Rot. Bonds7

About 1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one

1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one (PubChem CID 153486181) has the molecular formula C22H25FN6O3 and a molecular weight of 440.48 g/mol. Its IUPAC name is 1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
PubChem CID153486181
Molecular FormulaC22H25FN6O3
Molecular Weight440.48 g/mol
Exact Mass440.20
IUPAC Name1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
SMILESCNc1cc(Nc2cccn([C@@H]3C[C@H]3F)c2=O)nc2c(C(=O)C[C@H]3CC[C@@H](O)C3)cnn12
InChIInChI=1S/C22H25FN6O3/c1-24-20-10-19(26-16-3-2-6-28(22(16)32)17-9-15(17)23)27-21-14(11-25-29(20)21)18(31)8-12-4-5-13(30)7-12/h2-3,6,10-13,15,17,24,30H,4-5,7-9H2,1H3,(H,26,27)/t12-,13+,15+,17+/m0/s1
InChIKeyCXBGWAKSWAWLNC-TZDHZFECSA-N
XLogP2.69
TPSA113.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one?
The IUPAC name of 1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one (CID 153486181) is 1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one.
What is the SMILES notation for 1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one?
The canonical SMILES for 1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one is CNc1cc(Nc2cccn([C@@H]3C[C@H]3F)c2=O)nc2c(C(=O)C[C@H]3CC[C@@H](O)C3)cnn12.
What is the InChIKey of 1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one?
The InChIKey is CXBGWAKSWAWLNC-TZDHZFECSA-N. The full InChI is InChI=1S/C22H25FN6O3/c1-24-20-10-19(26-16-3-2-6-28(22(16)32)17-9-15(17)23)27-21-14(11-25-29(20)21)18(31)8-12-4-5-13(30)7-12/h2-3,6,10-13,15,17,24,30H,4-5,7-9H2,1H3,(H,26,27)/t12-,13+,15+,17+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one?
1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one has a molecular weight of 440.48 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-fluorocyclopropyl]-3-[[3-[2-[(1S,3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one is sourced from PubChem (CID 153486181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).