N-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine

C26H29FN8O — CID 155394400

IUPACN-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1cncc2nc(-c3ccnc(Nc4ncccc4F)c3)nc(NCC3CCNCC3(C)C)c12
InChIInChI=1S/C26H29FN8O/c1-26(2)15-28-9-7-17(26)12-32-25-22-19(13-29-14-20(22)36-3)33-23(35-25)16-6-10-30-21(11-16)34-24-18(27)5-4-8-31-24/h4-6,8,10-11,13-14,17,28H,7,9,12,15H2,1-3H3,(H,30,31,34)(H,32,33,35)
InChIKeySRZUUQPYXZGMPE-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.42
Rot. Bonds7

About N-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine

N-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine (PubChem CID 155394400) has the molecular formula C26H29FN8O and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine
PubChem CID155394400
Molecular FormulaC26H29FN8O
Molecular Weight488.57 g/mol
Exact Mass488.24
IUPAC NameN-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1cncc2nc(-c3ccnc(Nc4ncccc4F)c3)nc(NCC3CCNCC3(C)C)c12
InChIInChI=1S/C26H29FN8O/c1-26(2)15-28-9-7-17(26)12-32-25-22-19(13-29-14-20(22)36-3)33-23(35-25)16-6-10-30-21(11-16)34-24-18(27)5-4-8-31-24/h4-6,8,10-11,13-14,17,28H,7,9,12,15H2,1-3H3,(H,30,31,34)(H,32,33,35)
InChIKeySRZUUQPYXZGMPE-UHFFFAOYSA-N
XLogP4.42
TPSA109.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

5-cyclobutyl-2-[2-[(3,5-difluoro-2-pyridinyl)amino]-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 118388304
N-[4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3,5-difluoropyridin-2-amine
CID 90100226
5-cyclopropyl-N-(2,6-dimethylpiperidin-4-yl)-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 118388095
5-cyclobutyl-2-[2-[(4,6-difluoro-2-pyridinyl)amino]-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 118388704
N-[4-[5-cyclopropyl-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-1,3-benzoxazol-2-amine
CID 155394455
6-[[4-[5-cyclobutyl-4-[[(4S)-3,3-dimethylpiperidin-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile
CID 118388315
4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-fluorophenyl)pyridin-2-amine
CID 155249930
N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]pyrimidin-5-amine
CID 90099994
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine
CID 90099605
5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 90098813
4-tert-butyl-N-[4-[5-cyclobutyl-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 118388761
2-[2-(4-chloroanilino)-4-pyridinyl]-5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-N-methylpyrido[3,4-d]pyrimidin-4-amine
CID 118224977

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine (CID 155394400) is N-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine is COc1cncc2nc(-c3ccnc(Nc4ncccc4F)c3)nc(NCC3CCNCC3(C)C)c12.
What is the InChIKey of N-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is SRZUUQPYXZGMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8O/c1-26(2)15-28-9-7-17(26)12-32-25-22-19(13-29-14-20(22)36-3)33-23(35-25)16-6-10-30-21(11-16)34-24-18(27)5-4-8-31-24/h4-6,8,10-11,13-14,17,28H,7,9,12,15H2,1-3H3,(H,30,31,34)(H,32,33,35).
What are the key properties of N-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine?
N-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 488.57 g/mol, XLogP of 4.42, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-4-yl)methyl]-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-methoxypyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 155394400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).