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

C21H25N7O3 — CID 137449359

IUPACN-cyclopropyl-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCCOC3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C21H25N7O3/c1-22-18-10-17(26-19-15(11-23-28(18)19)20(29)24-13-6-7-13)25-16-5-2-8-27(21(16)30)14-4-3-9-31-12-14/h2,5,8,10-11,13-14,22H,3-4,6-7,9,12H2,1H3,(H,24,29)(H,25,26)/t14-/m0/s1
InChIKeyJWHZFZZANIYTCX-AWEZNQCLSA-N
MW423.48 g/mol
LogP1.92
Rot. Bonds6

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

N-cyclopropyl-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449359) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449359
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC NameN-cyclopropyl-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCCOC3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C21H25N7O3/c1-22-18-10-17(26-19-15(11-23-28(18)19)20(29)24-13-6-7-13)25-16-5-2-8-27(21(16)30)14-4-3-9-31-12-14/h2,5,8,10-11,13-14,22H,3-4,6-7,9,12H2,1H3,(H,24,29)(H,25,26)/t14-/m0/s1
InChIKeyJWHZFZZANIYTCX-AWEZNQCLSA-N
XLogP1.92
TPSA114.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449359) is N-cyclopropyl-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@H]3CCCOC3)c2=O)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JWHZFZZANIYTCX-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25N7O3/c1-22-18-10-17(26-19-15(11-23-28(18)19)20(29)24-13-6-7-13)25-16-5-2-8-27(21(16)30)14-4-3-9-31-12-14/h2,5,8,10-11,13-14,22H,3-4,6-7,9,12H2,1H3,(H,24,29)(H,25,26)/t14-/m0/s1.
What are the key properties of N-cyclopropyl-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).