[5,7-diamino-6-cyano-4-[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

C23H27N9O — CID 169380201

IUPAC[5,7-diamino-6-cyano-4-[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESCC1CCCN(CCOc2ccccc2C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)C1
InChIInChI=1S/C23H27N9O/c1-14-5-4-8-32(12-14)9-10-33-17-7-3-2-6-15(17)20-18-19(26)16(11-24)21(27)30-22(18)31-23(29-20)28-13-25/h2-3,6-7,14,20H,4-5,8-10,12H2,1H3,(H6,26,27,28,29,30,31)
InChIKeyGHNZHBKSDZTMQK-UHFFFAOYSA-N
MW445.53 g/mol
LogP2.17
Rot. Bonds5

About [5,7-diamino-6-cyano-4-[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

[5,7-diamino-6-cyano-4-[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169380201) has the molecular formula C23H27N9O and a molecular weight of 445.53 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-6-cyano-4-[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169380201
Molecular FormulaC23H27N9O
Molecular Weight445.53 g/mol
Exact Mass445.23
IUPAC Name[5,7-diamino-6-cyano-4-[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESCC1CCCN(CCOc2ccccc2C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)C1
InChIInChI=1S/C23H27N9O/c1-14-5-4-8-32(12-14)9-10-33-17-7-3-2-6-15(17)20-18-19(26)16(11-24)21(27)30-22(18)31-23(29-20)28-13-25/h2-3,6-7,14,20H,4-5,8-10,12H2,1H3,(H6,26,27,28,29,30,31)
InChIKeyGHNZHBKSDZTMQK-UHFFFAOYSA-N
XLogP2.17
TPSA161.40 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

[5,7-diamino-6-cyano-4-[2-(4-piperidin-1-ylbutoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380187
[5,7-diamino-6-cyano-4-[2-(difluoromethoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378709
[5,7-diamino-6-cyano-4-[2-[(dimethylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380365
[5,7-diamino-4-[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379846
[5,7-diamino-6-cyano-4-[2-[2-(1,3-dioxolan-2-yl)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380470
[5,7-diamino-6-cyano-4-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379125
[5,7-diamino-6-cyano-4-[2-(2-fluorophenyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379386
[5,7-diamino-6-cyano-4-(2-propan-2-yloxynaphthalen-1-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379975
[5,7-diamino-6-cyano-4-[2-(4-cyanophenyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379401
[5,7-diamino-4-[4-(azepan-1-ylmethyl)-3-fluorophenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379157
[5,7-diamino-6-cyano-4-(2-imidazol-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378899
[5,7-diamino-6-cyano-4-(3-methoxy-4-propoxyphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379327

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-6-cyano-4-[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169380201) is [5,7-diamino-6-cyano-4-[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [5,7-diamino-6-cyano-4-[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-6-cyano-4-[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is CC1CCCN(CCOc2ccccc2C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)C1.
What is the InChIKey of [5,7-diamino-6-cyano-4-[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is GHNZHBKSDZTMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O/c1-14-5-4-8-32(12-14)9-10-33-17-7-3-2-6-15(17)20-18-19(26)16(11-24)21(27)30-22(18)31-23(29-20)28-13-25/h2-3,6-7,14,20H,4-5,8-10,12H2,1H3,(H6,26,27,28,29,30,31).
What are the key properties of [5,7-diamino-6-cyano-4-[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-6-cyano-4-[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 445.53 g/mol, XLogP of 2.17, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-diamino-6-cyano-4-[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169380201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).