7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine

C20H24FN7O — CID 162748230

IUPAC7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCc1c(Nc2ncc3cc(F)c(NCC4CC4)nc3n2)cnn1C1CCOCC1
InChIInChI=1S/C20H24FN7O/c1-12-17(11-24-28(12)15-4-6-29-7-5-15)25-20-23-10-14-8-16(21)19(26-18(14)27-20)22-9-13-2-3-13/h8,10-11,13,15H,2-7,9H2,1H3,(H2,22,23,25,26,27)
InChIKeySUGHIUFMWNAXQD-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.59
Rot. Bonds6

About 7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine

7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine (PubChem CID 162748230) has the molecular formula C20H24FN7O and a molecular weight of 397.46 g/mol. Its IUPAC name is 7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine
PubChem CID162748230
Molecular FormulaC20H24FN7O
Molecular Weight397.46 g/mol
Exact Mass397.20
IUPAC Name7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCc1c(Nc2ncc3cc(F)c(NCC4CC4)nc3n2)cnn1C1CCOCC1
InChIInChI=1S/C20H24FN7O/c1-12-17(11-24-28(12)15-4-6-29-7-5-15)25-20-23-10-14-8-16(21)19(26-18(14)27-20)22-9-13-2-3-13/h8,10-11,13,15H,2-7,9H2,1H3,(H2,22,23,25,26,27)
InChIKeySUGHIUFMWNAXQD-UHFFFAOYSA-N
XLogP3.59
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The IUPAC name of 7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine (CID 162748230) is 7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The canonical SMILES for 7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine is Cc1c(Nc2ncc3cc(F)c(NCC4CC4)nc3n2)cnn1C1CCOCC1.
What is the InChIKey of 7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The InChIKey is SUGHIUFMWNAXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O/c1-12-17(11-24-28(12)15-4-6-29-7-5-15)25-20-23-10-14-8-16(21)19(26-18(14)27-20)22-9-13-2-3-13/h8,10-11,13,15H,2-7,9H2,1H3,(H2,22,23,25,26,27).
What are the key properties of 7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine?
7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine has a molecular weight of 397.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 162748230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).