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

C14H13F2N7O2 — CID 146383295

IUPAC5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC(F)F)nc2c(C(N)=O)cnn12
InChIInChI=1S/C14H13F2N7O2/c1-18-10-5-9(22-12-7(11(17)24)6-20-23(10)12)21-8-3-2-4-19-13(8)25-14(15)16/h2-6,14,18H,1H3,(H2,17,24)(H,21,22)
InChIKeyYPHVTABHUCWRAF-UHFFFAOYSA-N
MW349.30 g/mol
LogP1.61
Rot. Bonds6

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

5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383295) has the molecular formula C14H13F2N7O2 and a molecular weight of 349.30 g/mol. Its IUPAC name is 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146383295
Molecular FormulaC14H13F2N7O2
Molecular Weight349.30 g/mol
Exact Mass349.11
IUPAC Name5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC(F)F)nc2c(C(N)=O)cnn12
InChIInChI=1S/C14H13F2N7O2/c1-18-10-5-9(22-12-7(11(17)24)6-20-23(10)12)21-8-3-2-4-19-13(8)25-14(15)16/h2-6,14,18H,1H3,(H2,17,24)(H,21,22)
InChIKeyYPHVTABHUCWRAF-UHFFFAOYSA-N
XLogP1.61
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383295) is 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC(F)F)nc2c(C(N)=O)cnn12.
What is the InChIKey of 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YPHVTABHUCWRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N7O2/c1-18-10-5-9(22-12-7(11(17)24)6-20-23(10)12)21-8-3-2-4-19-13(8)25-14(15)16/h2-6,14,18H,1H3,(H2,17,24)(H,21,22).
What are the key properties of 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 349.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).