N-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C25H34F2N6O2 — CID 123545260

IUPACN-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCC1C=C(F)C(F)=CC1C1C(NC(=O)N2CCc3cnc(NC4CCOCC4)nc3C2)CCN1C
InChIInChI=1S/C25H34F2N6O2/c1-15-11-19(26)20(27)12-18(15)23-21(4-7-32(23)2)31-25(34)33-8-3-16-13-28-24(30-22(16)14-33)29-17-5-9-35-10-6-17/h11-13,15,17-18,21,23H,3-10,14H2,1-2H3,(H,31,34)(H,28,29,30)
InChIKeyIFAYNIAZMRQZNZ-UHFFFAOYSA-N
MW488.58 g/mol
LogP3.18
Rot. Bonds4

About N-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

N-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 123545260) has the molecular formula C25H34F2N6O2 and a molecular weight of 488.58 g/mol. Its IUPAC name is N-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID123545260
Molecular FormulaC25H34F2N6O2
Molecular Weight488.58 g/mol
Exact Mass488.27
IUPAC NameN-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCC1C=C(F)C(F)=CC1C1C(NC(=O)N2CCc3cnc(NC4CCOCC4)nc3C2)CCN1C
InChIInChI=1S/C25H34F2N6O2/c1-15-11-19(26)20(27)12-18(15)23-21(4-7-32(23)2)31-25(34)33-8-3-16-13-28-24(30-22(16)14-33)29-17-5-9-35-10-6-17/h11-13,15,17-18,21,23H,3-10,14H2,1-2H3,(H,31,34)(H,28,29,30)
InChIKeyIFAYNIAZMRQZNZ-UHFFFAOYSA-N
XLogP3.18
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.58
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

N-[(4R)-4-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 118369658
N-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 118369511
2-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-1-[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 118369567
7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 122181357
N-[(1R)-1-(3-chloro-4-cyanophenyl)ethyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 118369905
N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(1,3-oxazol-5-yl)methyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 118369515
[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl] N-[(3S,4R)-4-(4-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]carbamate
CID 118021003
N-[1-(3-chloro-4-cyanophenyl)-1,3-diiminopropan-2-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 123390306
tert-butyl 2-[[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 118369915
N-[(3R,4S)-4-(3-chloro-4-fluorophenoxy)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 157216999
3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide
CID 163354217
N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-[[(1S,3S)-3-hydroxycyclopentyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 118369614

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 123545260) is N-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is CC1C=C(F)C(F)=CC1C1C(NC(=O)N2CCc3cnc(NC4CCOCC4)nc3C2)CCN1C.
What is the InChIKey of N-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is IFAYNIAZMRQZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F2N6O2/c1-15-11-19(26)20(27)12-18(15)23-21(4-7-32(23)2)31-25(34)33-8-3-16-13-28-24(30-22(16)14-33)29-17-5-9-35-10-6-17/h11-13,15,17-18,21,23H,3-10,14H2,1-2H3,(H,31,34)(H,28,29,30).
What are the key properties of N-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
N-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 488.58 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 123545260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).