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

C22H26FN7O3 — CID 153486202

IUPACN-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCC[C@H]3O)c2=O)nc2c(C(=O)NC3CC[C@@H]3F)cnn12
InChIInChI=1S/C22H26FN7O3/c1-24-19-10-18(26-15-4-3-9-29(22(15)33)16-5-2-6-17(16)31)28-20-12(11-25-30(19)20)21(32)27-14-8-7-13(14)23/h3-4,9-11,13-14,16-17,24,31H,2,5-8H2,1H3,(H,26,28)(H,27,32)/t13-,14?,16-,17+/m0/s1
InChIKeyTWJSWHXNOJQECY-YTTRVJOFSA-N
MW455.49 g/mol
LogP1.99
Rot. Bonds6

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

N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 153486202) has the molecular formula C22H26FN7O3 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID153486202
Molecular FormulaC22H26FN7O3
Molecular Weight455.49 g/mol
Exact Mass455.21
IUPAC NameN-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCC[C@H]3O)c2=O)nc2c(C(=O)NC3CC[C@@H]3F)cnn12
InChIInChI=1S/C22H26FN7O3/c1-24-19-10-18(26-15-4-3-9-29(22(15)33)16-5-2-6-17(16)31)28-20-12(11-25-30(19)20)21(32)27-14-8-7-13(14)23/h3-4,9-11,13-14,16-17,24,31H,2,5-8H2,1H3,(H,26,28)(H,27,32)/t13-,14?,16-,17+/m0/s1
InChIKeyTWJSWHXNOJQECY-YTTRVJOFSA-N
XLogP1.99
TPSA125.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 153486202) is N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@H]3CCC[C@H]3O)c2=O)nc2c(C(=O)NC3CC[C@@H]3F)cnn12.
What is the InChIKey of N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is TWJSWHXNOJQECY-YTTRVJOFSA-N. The full InChI is InChI=1S/C22H26FN7O3/c1-24-19-10-18(26-15-4-3-9-29(22(15)33)16-5-2-6-17(16)31)28-20-12(11-25-30(19)20)21(32)27-14-8-7-13(14)23/h3-4,9-11,13-14,16-17,24,31H,2,5-8H2,1H3,(H,26,28)(H,27,32)/t13-,14?,16-,17+/m0/s1.
What are the key properties of N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 1.99, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 153486202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).