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

C18H19F2N7O — CID 137449353

IUPACN-cyclopropyl-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)NC3CC3)cnn12
InChIInChI=1S/C18H19F2N7O/c1-18(19,20)15-12(4-3-7-22-15)25-13-8-14(21-2)27-16(26-13)11(9-23-27)17(28)24-10-5-6-10/h3-4,7-10,21H,5-6H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyODZJJQCHSWYTGP-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.91
Rot. Bonds6

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

N-cyclopropyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449353) has the molecular formula C18H19F2N7O and a molecular weight of 387.39 g/mol. Its IUPAC name is N-cyclopropyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449353
Molecular FormulaC18H19F2N7O
Molecular Weight387.39 g/mol
Exact Mass387.16
IUPAC NameN-cyclopropyl-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)NC3CC3)cnn12
InChIInChI=1S/C18H19F2N7O/c1-18(19,20)15-12(4-3-7-22-15)25-13-8-14(21-2)27-16(26-13)11(9-23-27)17(28)24-10-5-6-10/h3-4,7-10,21H,5-6H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyODZJJQCHSWYTGP-UHFFFAOYSA-N
XLogP2.91
TPSA96.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449353) is N-cyclopropyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-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)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ODZJJQCHSWYTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O/c1-18(19,20)15-12(4-3-7-22-15)25-13-8-14(21-2)27-16(26-13)11(9-23-27)17(28)24-10-5-6-10/h3-4,7-10,21H,5-6H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of N-cyclopropyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).