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

C23H27F2N7O4 — CID 146571496

IUPACN-(2,2-difluorocyclobutyl)-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCOC[C@H]3OC)c2=O)nc2c(C(=O)NC3CCC3(F)F)cnn12
InChIInChI=1S/C23H27F2N7O4/c1-26-19-10-18(28-14-4-3-8-31(22(14)34)15-6-9-36-12-16(15)35-2)30-20-13(11-27-32(19)20)21(33)29-17-5-7-23(17,24)25/h3-4,8,10-11,15-17,26H,5-7,9,12H2,1-2H3,(H,28,30)(H,29,33)/t15-,16+,17?/m0/s1
InChIKeyHZBBHPNMWVLQLA-RTKIROINSA-N
MW503.51 g/mol
LogP2.18
Rot. Bonds7

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

N-(2,2-difluorocyclobutyl)-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146571496) has the molecular formula C23H27F2N7O4 and a molecular weight of 503.51 g/mol. Its IUPAC name is N-(2,2-difluorocyclobutyl)-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluorocyclobutyl)-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146571496
Molecular FormulaC23H27F2N7O4
Molecular Weight503.51 g/mol
Exact Mass503.21
IUPAC NameN-(2,2-difluorocyclobutyl)-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCOC[C@H]3OC)c2=O)nc2c(C(=O)NC3CCC3(F)F)cnn12
InChIInChI=1S/C23H27F2N7O4/c1-26-19-10-18(28-14-4-3-8-31(22(14)34)15-6-9-36-12-16(15)35-2)30-20-13(11-27-32(19)20)21(33)29-17-5-7-23(17,24)25/h3-4,8,10-11,15-17,26H,5-7,9,12H2,1-2H3,(H,28,30)(H,29,33)/t15-,16+,17?/m0/s1
InChIKeyHZBBHPNMWVLQLA-RTKIROINSA-N
XLogP2.18
TPSA123.81 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.51
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-(2,2-difluorocyclobutyl)-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclobutyl)-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,2-difluorocyclobutyl)-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146571496) is N-(2,2-difluorocyclobutyl)-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluorocyclobutyl)-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluorocyclobutyl)-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@H]3CCOC[C@H]3OC)c2=O)nc2c(C(=O)NC3CCC3(F)F)cnn12.
What is the InChIKey of N-(2,2-difluorocyclobutyl)-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HZBBHPNMWVLQLA-RTKIROINSA-N. The full InChI is InChI=1S/C23H27F2N7O4/c1-26-19-10-18(28-14-4-3-8-31(22(14)34)15-6-9-36-12-16(15)35-2)30-20-13(11-27-32(19)20)21(33)29-17-5-7-23(17,24)25/h3-4,8,10-11,15-17,26H,5-7,9,12H2,1-2H3,(H,28,30)(H,29,33)/t15-,16+,17?/m0/s1.
What are the key properties of N-(2,2-difluorocyclobutyl)-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2,2-difluorocyclobutyl)-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 503.51 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclobutyl)-5-[[1-[(3S,4S)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146571496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).