N-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H26FN7O3 — CID 146559874

IUPACN-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCOCC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3F)cnn12
InChIInChI=1S/C22H26FN7O3/c1-24-19-11-18(26-17-3-2-8-29(22(17)32)13-6-9-33-10-7-13)28-20-14(12-25-30(19)20)21(31)27-16-5-4-15(16)23/h2-3,8,11-13,15-16,24H,4-7,9-10H2,1H3,(H,26,28)(H,27,31)/t15-,16-/m0/s1
InChIKeyVUVRGQFPBQUPQT-HOTGVXAUSA-N
MW455.49 g/mol
LogP2.26
Rot. Bonds6

About N-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146559874) has the molecular formula C22H26FN7O3 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146559874
Molecular FormulaC22H26FN7O3
Molecular Weight455.49 g/mol
Exact Mass455.21
IUPAC NameN-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCOCC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3F)cnn12
InChIInChI=1S/C22H26FN7O3/c1-24-19-11-18(26-17-3-2-8-29(22(17)32)13-6-9-33-10-7-13)28-20-14(12-25-30(19)20)21(31)27-16-5-4-15(16)23/h2-3,8,11-13,15-16,24H,4-7,9-10H2,1H3,(H,26,28)(H,27,31)/t15-,16-/m0/s1
InChIKeyVUVRGQFPBQUPQT-HOTGVXAUSA-N
XLogP2.26
TPSA114.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(1S,2R)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560721
N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153486168
N-[(2R)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569465
7-(methylamino)-N-[(1S,2R)-2-methylcyclobutyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569492
N-[(1R,2R)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146572507
N-[(2R)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559152
N-[(2R)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560356
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560135
5-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142524002
N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560381
5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146484558
5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559146

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146559874) is N-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCOCC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3F)cnn12.
What is the InChIKey of N-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VUVRGQFPBQUPQT-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H26FN7O3/c1-24-19-11-18(26-17-3-2-8-29(22(17)32)13-6-9-33-10-7-13)28-20-14(12-25-30(19)20)21(31)27-16-5-4-15(16)23/h2-3,8,11-13,15-16,24H,4-7,9-10H2,1H3,(H,26,28)(H,27,31)/t15-,16-/m0/s1.
What are the key properties of N-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146559874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).