N-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide

C27H26N6O4 — CID 172605779

IUPACN-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(N(Cc2ccc3c4c(c(N)nc3c2)COC4)C(=O)c2cnc(C3CC3)nc2)c(OC)n1
InChIInChI=1S/C27H26N6O4/c1-35-23-8-7-22(26(32-23)36-2)33(27(34)17-10-29-25(30-11-17)16-4-5-16)12-15-3-6-18-19-13-37-14-20(19)24(28)31-21(18)9-15/h3,6-11,16H,4-5,12-14H2,1-2H3,(H2,28,31)
InChIKeyQVJHIMKQQZUGPL-UHFFFAOYSA-N
MW498.54 g/mol
LogP3.77
Rot. Bonds7

About N-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide

N-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide (PubChem CID 172605779) has the molecular formula C27H26N6O4 and a molecular weight of 498.54 g/mol. Its IUPAC name is N-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide
PubChem CID172605779
Molecular FormulaC27H26N6O4
Molecular Weight498.54 g/mol
Exact Mass498.20
IUPAC NameN-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(N(Cc2ccc3c4c(c(N)nc3c2)COC4)C(=O)c2cnc(C3CC3)nc2)c(OC)n1
InChIInChI=1S/C27H26N6O4/c1-35-23-8-7-22(26(32-23)36-2)33(27(34)17-10-29-25(30-11-17)16-4-5-16)12-15-3-6-18-19-13-37-14-20(19)24(28)31-21(18)9-15/h3,6-11,16H,4-5,12-14H2,1-2H3,(H2,28,31)
InChIKeyQVJHIMKQQZUGPL-UHFFFAOYSA-N
XLogP3.77
TPSA125.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-N-(2-cyano-4-fluorophenyl)-2-cyclopropylpyrimidine-5-carboxamide
CID 172605436
N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrimidine-5-carboxamide
CID 172605716
N-[(4-bromo-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(4,4-difluoro-2,3-dihydrothiochromen-8-yl)pyrimidine-5-carboxamide
CID 172605651
N-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-6-(1-cyanocyclopropyl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide
CID 172605483
N-[(2-amino-3-chloroquinolin-7-yl)methyl]-2-cyclopropyl-N-(2-methylsulfonyl-3-pyridinyl)pyrimidine-5-carboxamide
CID 171501220
4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867366
2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide
CID 118961847
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-cyclopropyl-N,4-dimethylpyrimidine-5-carboxamide
CID 50960897
N-[[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-7-yl]methyl]-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 172605594
4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382984
4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 169102330
4-amino-N-(2,2-dimethylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383203

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide (CID 172605779) is N-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide is COc1ccc(N(Cc2ccc3c4c(c(N)nc3c2)COC4)C(=O)c2cnc(C3CC3)nc2)c(OC)n1.
What is the InChIKey of N-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide?
The InChIKey is QVJHIMKQQZUGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O4/c1-35-23-8-7-22(26(32-23)36-2)33(27(34)17-10-29-25(30-11-17)16-4-5-16)12-15-3-6-18-19-13-37-14-20(19)24(28)31-21(18)9-15/h3,6-11,16H,4-5,12-14H2,1-2H3,(H2,28,31).
What are the key properties of N-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide?
N-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide has a molecular weight of 498.54 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-(2,6-dimethoxy-3-pyridinyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 172605779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).