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

C18H19F2N7O2 — CID 137441585

IUPACN-(3,3-difluorocyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3CC(F)(F)C3)cnn12
InChIInChI=1S/C18H19F2N7O2/c1-21-14-6-13(25-12-4-3-5-22-17(12)29-2)26-15-11(9-23-27(14)15)16(28)24-10-7-18(19,20)8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyQDUPCZCWEYZTPS-UHFFFAOYSA-N
MW403.39 g/mol
LogP2.45
Rot. Bonds6

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

N-(3,3-difluorocyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441585) has the molecular formula C18H19F2N7O2 and a molecular weight of 403.39 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137441585
Molecular FormulaC18H19F2N7O2
Molecular Weight403.39 g/mol
Exact Mass403.16
IUPAC NameN-(3,3-difluorocyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3CC(F)(F)C3)cnn12
InChIInChI=1S/C18H19F2N7O2/c1-21-14-6-13(25-12-4-3-5-22-17(12)29-2)26-15-11(9-23-27(14)15)16(28)24-10-7-18(19,20)8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyQDUPCZCWEYZTPS-UHFFFAOYSA-N
XLogP2.45
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441585) is N-(3,3-difluorocyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3CC(F)(F)C3)cnn12.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QDUPCZCWEYZTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O2/c1-21-14-6-13(25-12-4-3-5-22-17(12)29-2)26-15-11(9-23-27(14)15)16(28)24-10-7-18(19,20)8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of N-(3,3-difluorocyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3,3-difluorocyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).