N-cyclopropyl-5-[(4-fluoro-2-oxo-1-propan-2-yl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H22FN7O2 — CID 137449899

IUPACN-cyclopropyl-5-[(4-fluoro-2-oxo-1-propan-2-yl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2c(F)ccn(C(C)C)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C19H22FN7O2/c1-10(2)26-7-6-13(20)16(19(26)29)24-14-8-15(21-3)27-17(25-14)12(9-22-27)18(28)23-11-4-5-11/h6-11,21H,4-5H2,1-3H3,(H,23,28)(H,24,25)
InChIKeyVHDUISDWGBUBOZ-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.29
Rot. Bonds6

About N-cyclopropyl-5-[(4-fluoro-2-oxo-1-propan-2-yl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[(4-fluoro-2-oxo-1-propan-2-yl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449899) has the molecular formula C19H22FN7O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is N-cyclopropyl-5-[(4-fluoro-2-oxo-1-propan-2-yl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(4-fluoro-2-oxo-1-propan-2-yl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449899
Molecular FormulaC19H22FN7O2
Molecular Weight399.43 g/mol
Exact Mass399.18
IUPAC NameN-cyclopropyl-5-[(4-fluoro-2-oxo-1-propan-2-yl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2c(F)ccn(C(C)C)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C19H22FN7O2/c1-10(2)26-7-6-13(20)16(19(26)29)24-14-8-15(21-3)27-17(25-14)12(9-22-27)18(28)23-11-4-5-11/h6-11,21H,4-5H2,1-3H3,(H,23,28)(H,24,25)
InChIKeyVHDUISDWGBUBOZ-UHFFFAOYSA-N
XLogP2.29
TPSA105.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(4-fluoro-2-oxo-1-propan-2-yl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(4-fluoro-2-oxo-1-propan-2-yl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449899) is N-cyclopropyl-5-[(4-fluoro-2-oxo-1-propan-2-yl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(4-fluoro-2-oxo-1-propan-2-yl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(4-fluoro-2-oxo-1-propan-2-yl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2c(F)ccn(C(C)C)c2=O)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-5-[(4-fluoro-2-oxo-1-propan-2-yl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VHDUISDWGBUBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O2/c1-10(2)26-7-6-13(20)16(19(26)29)24-14-8-15(21-3)27-17(25-14)12(9-22-27)18(28)23-11-4-5-11/h6-11,21H,4-5H2,1-3H3,(H,23,28)(H,24,25).
What are the key properties of N-cyclopropyl-5-[(4-fluoro-2-oxo-1-propan-2-yl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[(4-fluoro-2-oxo-1-propan-2-yl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(4-fluoro-2-oxo-1-propan-2-yl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).