2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C37H47FN8O — CID 176703625

IUPAC2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ccccc1C1Cc2nc(OC)nc(N3CCCn4nc(-c5ccccn5)cc4C3)c2CN1C.FC1CC2CCCN2C1
InChIInChI=1S/C30H35N7O.C7H12FN/c1-4-10-21-11-5-6-12-23(21)28-18-26-24(20-35(28)2)29(33-30(32-26)38-3)36-15-9-16-37-22(19-36)17-27(34-37)25-13-7-8-14-31-25;8-6-4-7-2-1-3-9(7)5-6/h5-8,11-14,17,28H,4,9-10,15-16,18-20H2,1-3H3;6-7H,1-5H2
InChIKeyYFHTUCLRVMFDME-UHFFFAOYSA-N
MW638.84 g/mol
LogP6.03
Rot. Bonds6

About 2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 176703625) has the molecular formula C37H47FN8O and a molecular weight of 638.84 g/mol. Its IUPAC name is 2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID176703625
Molecular FormulaC37H47FN8O
Molecular Weight638.84 g/mol
Exact Mass638.39
IUPAC Name2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ccccc1C1Cc2nc(OC)nc(N3CCCn4nc(-c5ccccn5)cc4C3)c2CN1C.FC1CC2CCCN2C1
InChIInChI=1S/C30H35N7O.C7H12FN/c1-4-10-21-11-5-6-12-23(21)28-18-26-24(20-35(28)2)29(33-30(32-26)38-3)36-15-9-16-37-22(19-36)17-27(34-37)25-13-7-8-14-31-25;8-6-4-7-2-1-3-9(7)5-6/h5-8,11-14,17,28H,4,9-10,15-16,18-20H2,1-3H3;6-7H,1-5H2
InChIKeyYFHTUCLRVMFDME-UHFFFAOYSA-N
XLogP6.03
TPSA75.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.84
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 155550205
Dihydropyrrolopyrazole, 12
CID 21992881
6-fluoro-5-[1-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 155541201
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 155542302
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-4-(2-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrimidin-2-amine
CID 162674976
N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 138501447
US10899764, Example 18
CID 122650388
US10906905, Example 40-1
CID 134439636
US10023570, Example 491
CID 126740248
US10023570, Example 484
CID 126740300
40 (2-(4-(1-(3-Fluorobenzyl)-3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)-4,6-dihydropyrrolo[3,4-d]imidazol-5(1H)-yl)(4-methylpiperazin-1-yl)ketone
CID 176777129
2-(2-Fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
CID 53344961

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 176703625) is 2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCc1ccccc1C1Cc2nc(OC)nc(N3CCCn4nc(-c5ccccn5)cc4C3)c2CN1C.FC1CC2CCCN2C1.
What is the InChIKey of 2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is YFHTUCLRVMFDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O.C7H12FN/c1-4-10-21-11-5-6-12-23(21)28-18-26-24(20-35(28)2)29(33-30(32-26)38-3)36-15-9-16-37-22(19-36)17-27(34-37)25-13-7-8-14-31-25;8-6-4-7-2-1-3-9(7)5-6/h5-8,11-14,17,28H,4,9-10,15-16,18-20H2,1-3H3;6-7H,1-5H2.
What are the key properties of 2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 638.84 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2-methoxy-6-methyl-7-(2-propylphenyl)-4-(2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 176703625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).