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

C23H27FN6O3 — CID 153486359

IUPAC1-(3-fluorocyclobutyl)-3-[[3-[2-[(3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
SMILESCNc1cc(Nc2cccn(C3CC(F)C3)c2=O)nc2c(C(=O)CC3CC[C@@H](O)C3)cnn12
InChIInChI=1S/C23H27FN6O3/c1-25-21-11-20(27-18-3-2-6-29(23(18)33)15-9-14(24)10-15)28-22-17(12-26-30(21)22)19(32)8-13-4-5-16(31)7-13/h2-3,6,11-16,25,31H,4-5,7-10H2,1H3,(H,27,28)/t13?,14?,15?,16-/m1/s1
InChIKeyFGKDWBJXBCQSMB-LGGPCSOHSA-N
MW454.51 g/mol
LogP3.08
Rot. Bonds7

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

1-(3-fluorocyclobutyl)-3-[[3-[2-[(3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one (PubChem CID 153486359) has the molecular formula C23H27FN6O3 and a molecular weight of 454.51 g/mol. Its IUPAC name is 1-(3-fluorocyclobutyl)-3-[[3-[2-[(3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one.

Molecular Properties

Compound Name1-(3-fluorocyclobutyl)-3-[[3-[2-[(3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
PubChem CID153486359
Molecular FormulaC23H27FN6O3
Molecular Weight454.51 g/mol
Exact Mass454.21
IUPAC Name1-(3-fluorocyclobutyl)-3-[[3-[2-[(3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
SMILESCNc1cc(Nc2cccn(C3CC(F)C3)c2=O)nc2c(C(=O)CC3CC[C@@H](O)C3)cnn12
InChIInChI=1S/C23H27FN6O3/c1-25-21-11-20(27-18-3-2-6-29(23(18)33)15-9-14(24)10-15)28-22-17(12-26-30(21)22)19(32)8-13-4-5-16(31)7-13/h2-3,6,11-16,25,31H,4-5,7-10H2,1H3,(H,27,28)/t13?,14?,15?,16-/m1/s1
InChIKeyFGKDWBJXBCQSMB-LGGPCSOHSA-N
XLogP3.08
TPSA113.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-(3-fluorocyclobutyl)-3-[[3-[2-[(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-(3-fluorocyclobutyl)-3-[[3-[2-[(3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one?
The IUPAC name of 1-(3-fluorocyclobutyl)-3-[[3-[2-[(3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one (CID 153486359) is 1-(3-fluorocyclobutyl)-3-[[3-[2-[(3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one.
What is the SMILES notation for 1-(3-fluorocyclobutyl)-3-[[3-[2-[(3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one?
The canonical SMILES for 1-(3-fluorocyclobutyl)-3-[[3-[2-[(3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one is CNc1cc(Nc2cccn(C3CC(F)C3)c2=O)nc2c(C(=O)CC3CC[C@@H](O)C3)cnn12.
What is the InChIKey of 1-(3-fluorocyclobutyl)-3-[[3-[2-[(3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one?
The InChIKey is FGKDWBJXBCQSMB-LGGPCSOHSA-N. The full InChI is InChI=1S/C23H27FN6O3/c1-25-21-11-20(27-18-3-2-6-29(23(18)33)15-9-14(24)10-15)28-22-17(12-26-30(21)22)19(32)8-13-4-5-16(31)7-13/h2-3,6,11-16,25,31H,4-5,7-10H2,1H3,(H,27,28)/t13?,14?,15?,16-/m1/s1.
What are the key properties of 1-(3-fluorocyclobutyl)-3-[[3-[2-[(3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one?
1-(3-fluorocyclobutyl)-3-[[3-[2-[(3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one has a molecular weight of 454.51 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorocyclobutyl)-3-[[3-[2-[(3R)-3-hydroxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one is sourced from PubChem (CID 153486359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).