5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-[[(1S,2R)-2-hydroxycyclobutyl]-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24FN7O3 — CID 153486338

IUPAC5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-[[(1S,2R)-2-hydroxycyclobutyl]-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(c1cc(Nc2cccn(C3CC(F)C3)c2=O)nc2c(C(N)=O)cnn12)[C@H]1CC[C@H]1O
InChIInChI=1S/C21H24FN7O3/c1-27(15-4-5-16(15)30)18-9-17(26-20-13(19(23)31)10-24-29(18)20)25-14-3-2-6-28(21(14)32)12-7-11(22)8-12/h2-3,6,9-12,15-16,30H,4-5,7-8H2,1H3,(H2,23,31)(H,25,26)/t11?,12?,15-,16+/m0/s1
InChIKeyJRMVVDKZTCIXKY-UQZDFYISSA-N
MW441.47 g/mol
LogP1.37
Rot. Bonds6

About 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-[[(1S,2R)-2-hydroxycyclobutyl]-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-[[(1S,2R)-2-hydroxycyclobutyl]-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 153486338) has the molecular formula C21H24FN7O3 and a molecular weight of 441.47 g/mol. Its IUPAC name is 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-[[(1S,2R)-2-hydroxycyclobutyl]-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-[[(1S,2R)-2-hydroxycyclobutyl]-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID153486338
Molecular FormulaC21H24FN7O3
Molecular Weight441.47 g/mol
Exact Mass441.19
IUPAC Name5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-[[(1S,2R)-2-hydroxycyclobutyl]-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(c1cc(Nc2cccn(C3CC(F)C3)c2=O)nc2c(C(N)=O)cnn12)[C@H]1CC[C@H]1O
InChIInChI=1S/C21H24FN7O3/c1-27(15-4-5-16(15)30)18-9-17(26-20-13(19(23)31)10-24-29(18)20)25-14-3-2-6-28(21(14)32)12-7-11(22)8-12/h2-3,6,9-12,15-16,30H,4-5,7-8H2,1H3,(H2,23,31)(H,25,26)/t11?,12?,15-,16+/m0/s1
InChIKeyJRMVVDKZTCIXKY-UQZDFYISSA-N
XLogP1.37
TPSA130.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-[[(1S,2R)-2-hydroxycyclobutyl]-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-[[(1S,2R)-2-hydroxycyclobutyl]-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 153486338) is 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-[[(1S,2R)-2-hydroxycyclobutyl]-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-[[(1S,2R)-2-hydroxycyclobutyl]-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-[[(1S,2R)-2-hydroxycyclobutyl]-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(c1cc(Nc2cccn(C3CC(F)C3)c2=O)nc2c(C(N)=O)cnn12)[C@H]1CC[C@H]1O.
What is the InChIKey of 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-[[(1S,2R)-2-hydroxycyclobutyl]-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JRMVVDKZTCIXKY-UQZDFYISSA-N. The full InChI is InChI=1S/C21H24FN7O3/c1-27(15-4-5-16(15)30)18-9-17(26-20-13(19(23)31)10-24-29(18)20)25-14-3-2-6-28(21(14)32)12-7-11(22)8-12/h2-3,6,9-12,15-16,30H,4-5,7-8H2,1H3,(H2,23,31)(H,25,26)/t11?,12?,15-,16+/m0/s1.
What are the key properties of 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-[[(1S,2R)-2-hydroxycyclobutyl]-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-[[(1S,2R)-2-hydroxycyclobutyl]-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-[[(1S,2R)-2-hydroxycyclobutyl]-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 153486338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).