4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile

C22H24FN7 — CID 176670877

IUPAC4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile
SMILESCc1cc(C)c2c(N)nc(NC3CCN(Cc4ccc(C#N)cc4F)CC3)nc2n1
InChIInChI=1S/C22H24FN7/c1-13-9-14(2)26-21-19(13)20(25)28-22(29-21)27-17-5-7-30(8-6-17)12-16-4-3-15(11-24)10-18(16)23/h3-4,9-10,17H,5-8,12H2,1-2H3,(H3,25,26,27,28,29)
InChIKeyDUVYITNCPQYAFC-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.31
Rot. Bonds4

About 4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile

4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile (PubChem CID 176670877) has the molecular formula C22H24FN7 and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile
PubChem CID176670877
Molecular FormulaC22H24FN7
Molecular Weight405.48 g/mol
Exact Mass405.21
IUPAC Name4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile
SMILESCc1cc(C)c2c(N)nc(NC3CCN(Cc4ccc(C#N)cc4F)CC3)nc2n1
InChIInChI=1S/C22H24FN7/c1-13-9-14(2)26-21-19(13)20(25)28-22(29-21)27-17-5-7-30(8-6-17)12-16-4-3-15(11-24)10-18(16)23/h3-4,9-10,17H,5-8,12H2,1-2H3,(H3,25,26,27,28,29)
InChIKeyDUVYITNCPQYAFC-UHFFFAOYSA-N
XLogP3.31
TPSA103.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile with MolForge

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Related Compounds

[4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]phenyl]methanol
CID 176671009
2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671273
2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671359
4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidin-1-yl]methyl]benzonitrile
CID 176670902
5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670757
5,7-dimethyl-2-N-[1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671106
2-N-[1-[[3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670711
5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670811
4-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-3-fluorobenzonitrile
CID 79736873
N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 163357727
2-[[4-[(13-amino-7-methyl-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaen-11-yl)amino]piperidin-1-yl]methyl]phenol
CID 176670661
4-(azepan-1-ylmethyl)-3-fluorobenzonitrile
CID 24711476

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile?
The IUPAC name of 4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile (CID 176670877) is 4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile is Cc1cc(C)c2c(N)nc(NC3CCN(Cc4ccc(C#N)cc4F)CC3)nc2n1.
What is the InChIKey of 4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile?
The InChIKey is DUVYITNCPQYAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7/c1-13-9-14(2)26-21-19(13)20(25)28-22(29-21)27-17-5-7-30(8-6-17)12-16-4-3-15(11-24)10-18(16)23/h3-4,9-10,17H,5-8,12H2,1-2H3,(H3,25,26,27,28,29).
What are the key properties of 4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile?
4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile has a molecular weight of 405.48 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile is sourced from PubChem (CID 176670877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).