(2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol

C18H23F2N7O — CID 178073861

IUPAC(2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
SMILESCCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3cnn(C(F)F)c3)cnc12
InChIInChI=1S/C18H23F2N7O/c1-3-4-5-18(2,10-28)26-15-14-13(24-17(21)25-15)6-11(7-22-14)12-8-23-27(9-12)16(19)20/h6-9,16,28H,3-5,10H2,1-2H3,(H3,21,24,25,26)/t18-/m1/s1
InChIKeyXFBVDTFQMQUMFI-GOSISDBHSA-N
MW391.43 g/mol
LogP3.22
Rot. Bonds8

About (2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol

(2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol (PubChem CID 178073861) has the molecular formula C18H23F2N7O and a molecular weight of 391.43 g/mol. Its IUPAC name is (2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
PubChem CID178073861
Molecular FormulaC18H23F2N7O
Molecular Weight391.43 g/mol
Exact Mass391.19
IUPAC Name(2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
SMILESCCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3cnn(C(F)F)c3)cnc12
InChIInChI=1S/C18H23F2N7O/c1-3-4-5-18(2,10-28)26-15-14-13(24-17(21)25-15)6-11(7-22-14)12-8-23-27(9-12)16(19)20/h6-9,16,28H,3-5,10H2,1-2H3,(H3,21,24,25,26)/t18-/m1/s1
InChIKeyXFBVDTFQMQUMFI-GOSISDBHSA-N
XLogP3.22
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol?
The IUPAC name of (2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol (CID 178073861) is (2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol.
What is the SMILES notation for (2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol?
The canonical SMILES for (2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol is CCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3cnn(C(F)F)c3)cnc12.
What is the InChIKey of (2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol?
The InChIKey is XFBVDTFQMQUMFI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23F2N7O/c1-3-4-5-18(2,10-28)26-15-14-13(24-17(21)25-15)6-11(7-22-14)12-8-23-27(9-12)16(19)20/h6-9,16,28H,3-5,10H2,1-2H3,(H3,21,24,25,26)/t18-/m1/s1.
What are the key properties of (2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol?
(2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol has a molecular weight of 391.43 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol is sourced from PubChem (CID 178073861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).