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

C22H26ClN7O4 — CID 137450110

IUPAC5-[[5-chloro-1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(Cl)cn(C3CCOCC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12
InChIInChI=1S/C22H26ClN7O4/c1-24-19-9-18(26-16-8-12(23)11-29(22(16)33)13-4-6-34-7-5-13)28-20-14(10-25-30(19)20)21(32)27-15-2-3-17(15)31/h8-11,13,15,17,24,31H,2-7H2,1H3,(H,26,28)(H,27,32)/t15-,17+/m0/s1
InChIKeyCKTKEWPYKMRVAT-DOTOQJQBSA-N
MW487.95 g/mol
LogP1.93
Rot. Bonds6

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

5-[[5-chloro-1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450110) has the molecular formula C22H26ClN7O4 and a molecular weight of 487.95 g/mol. Its IUPAC name is 5-[[5-chloro-1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[5-chloro-1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450110
Molecular FormulaC22H26ClN7O4
Molecular Weight487.95 g/mol
Exact Mass487.17
IUPAC Name5-[[5-chloro-1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(Cl)cn(C3CCOCC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12
InChIInChI=1S/C22H26ClN7O4/c1-24-19-9-18(26-16-8-12(23)11-29(22(16)33)13-4-6-34-7-5-13)28-20-14(10-25-30(19)20)21(32)27-15-2-3-17(15)31/h8-11,13,15,17,24,31H,2-7H2,1H3,(H,26,28)(H,27,32)/t15-,17+/m0/s1
InChIKeyCKTKEWPYKMRVAT-DOTOQJQBSA-N
XLogP1.93
TPSA134.81 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.95
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[5-chloro-1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450110) is 5-[[5-chloro-1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[5-chloro-1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[5-chloro-1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(Cl)cn(C3CCOCC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12.
What is the InChIKey of 5-[[5-chloro-1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CKTKEWPYKMRVAT-DOTOQJQBSA-N. The full InChI is InChI=1S/C22H26ClN7O4/c1-24-19-9-18(26-16-8-12(23)11-29(22(16)33)13-4-6-34-7-5-13)28-20-14(10-25-30(19)20)21(32)27-15-2-3-17(15)31/h8-11,13,15,17,24,31H,2-7H2,1H3,(H,26,28)(H,27,32)/t15-,17+/m0/s1.
What are the key properties of 5-[[5-chloro-1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[5-chloro-1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 487.95 g/mol, XLogP of 1.93, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).