N-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C23H28FN5O4 — CID 118369511

IUPACN-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESO=C(N[C@@H]1COC[C@@H]1Oc1ccc(F)cc1)N1CCc2cnc(NC3CCOCC3)nc2C1
InChIInChI=1S/C23H28FN5O4/c24-16-1-3-18(4-2-16)33-21-14-32-13-20(21)28-23(30)29-8-5-15-11-25-22(27-19(15)12-29)26-17-6-9-31-10-7-17/h1-4,11,17,20-21H,5-10,12-14H2,(H,28,30)(H,25,26,27)/t20-,21+/m1/s1
InChIKeyUEVFPXSPLKFDKT-RTWAWAEBSA-N
MW457.51 g/mol
LogP2.12
Rot. Bonds5

About N-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

N-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 118369511) has the molecular formula C23H28FN5O4 and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID118369511
Molecular FormulaC23H28FN5O4
Molecular Weight457.51 g/mol
Exact Mass457.21
IUPAC NameN-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESO=C(N[C@@H]1COC[C@@H]1Oc1ccc(F)cc1)N1CCc2cnc(NC3CCOCC3)nc2C1
InChIInChI=1S/C23H28FN5O4/c24-16-1-3-18(4-2-16)33-21-14-32-13-20(21)28-23(30)29-8-5-15-11-25-22(27-19(15)12-29)26-17-6-9-31-10-7-17/h1-4,11,17,20-21H,5-10,12-14H2,(H,28,30)(H,25,26,27)/t20-,21+/m1/s1
InChIKeyUEVFPXSPLKFDKT-RTWAWAEBSA-N
XLogP2.12
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3R,4R)-4-(4-fluorophenoxy)oxolan-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-[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
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
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
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
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
7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 122181357
[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl] N-[(1R)-3-cyano-1-[4-(difluoromethoxy)phenyl]propyl]carbamate
CID 118021155
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
[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-[(1R)-1-(4-fluorophenyl)propyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 159160288
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-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of 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) is N-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is O=C(N[C@@H]1COC[C@@H]1Oc1ccc(F)cc1)N1CCc2cnc(NC3CCOCC3)nc2C1.
What is the InChIKey of N-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is UEVFPXSPLKFDKT-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H28FN5O4/c24-16-1-3-18(4-2-16)33-21-14-32-13-20(21)28-23(30)29-8-5-15-11-25-22(27-19(15)12-29)26-17-6-9-31-10-7-17/h1-4,11,17,20-21H,5-10,12-14H2,(H,28,30)(H,25,26,27)/t20-,21+/m1/s1.
What are the key properties of N-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
N-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 118369511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).