N-cyclobutyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21F2N7O — CID 137449352

IUPACN-cyclobutyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2C(C)(F)F)nc2c(C(=O)NC3CCC3)cnn12
InChIInChI=1S/C19H21F2N7O/c1-19(20,21)16-13(7-4-8-23-16)26-14-9-15(22-2)28-17(27-14)12(10-24-28)18(29)25-11-5-3-6-11/h4,7-11,22H,3,5-6H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyYAVXEXYLHHTRMZ-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.30
Rot. Bonds6

About N-cyclobutyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclobutyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449352) has the molecular formula C19H21F2N7O and a molecular weight of 401.42 g/mol. Its IUPAC name is N-cyclobutyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449352
Molecular FormulaC19H21F2N7O
Molecular Weight401.42 g/mol
Exact Mass401.18
IUPAC NameN-cyclobutyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2C(C)(F)F)nc2c(C(=O)NC3CCC3)cnn12
InChIInChI=1S/C19H21F2N7O/c1-19(20,21)16-13(7-4-8-23-16)26-14-9-15(22-2)28-17(27-14)12(10-24-28)18(29)25-11-5-3-6-11/h4,7-11,22H,3,5-6H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyYAVXEXYLHHTRMZ-UHFFFAOYSA-N
XLogP3.30
TPSA96.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclobutyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449352) is N-cyclobutyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2C(C)(F)F)nc2c(C(=O)NC3CCC3)cnn12.
What is the InChIKey of N-cyclobutyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YAVXEXYLHHTRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N7O/c1-19(20,21)16-13(7-4-8-23-16)26-14-9-15(22-2)28-17(27-14)12(10-24-28)18(29)25-11-5-3-6-11/h4,7-11,22H,3,5-6H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-cyclobutyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclobutyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).