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

C21H24ClN7O3 — CID 137450244

IUPAC5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(Cl)cn([C@H]3CCCOC3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C21H24ClN7O3/c1-23-18-8-17(27-19-15(9-24-29(18)19)20(30)25-13-4-5-13)26-16-7-12(22)10-28(21(16)31)14-3-2-6-32-11-14/h7-10,13-14,23H,2-6,11H2,1H3,(H,25,30)(H,26,27)/t14-/m0/s1
InChIKeyVUHWWRLZDRLKCM-AWEZNQCLSA-N
MW457.92 g/mol
LogP2.57
Rot. Bonds6

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

5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450244) has the molecular formula C21H24ClN7O3 and a molecular weight of 457.92 g/mol. Its IUPAC name is 5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450244
Molecular FormulaC21H24ClN7O3
Molecular Weight457.92 g/mol
Exact Mass457.16
IUPAC Name5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(Cl)cn([C@H]3CCCOC3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C21H24ClN7O3/c1-23-18-8-17(27-19-15(9-24-29(18)19)20(30)25-13-4-5-13)26-16-7-12(22)10-28(21(16)31)14-3-2-6-32-11-14/h7-10,13-14,23H,2-6,11H2,1H3,(H,25,30)(H,26,27)/t14-/m0/s1
InChIKeyVUHWWRLZDRLKCM-AWEZNQCLSA-N
XLogP2.57
TPSA114.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450244) is 5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(Cl)cn([C@H]3CCCOC3)c2=O)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of 5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VUHWWRLZDRLKCM-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24ClN7O3/c1-23-18-8-17(27-19-15(9-24-29(18)19)20(30)25-13-4-5-13)26-16-7-12(22)10-28(21(16)31)14-3-2-6-32-11-14/h7-10,13-14,23H,2-6,11H2,1H3,(H,25,30)(H,26,27)/t14-/m0/s1.
What are the key properties of 5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 457.92 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).