[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methanone

C26H34N4O2 — CID 118183071

IUPAC[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methanone
SMILESCOC[C@H]1CCCN1c1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cn1
InChIInChI=1S/C26H34N4O2/c1-32-19-24-7-4-13-30(24)25-9-8-21(17-27-25)26(31)28-15-11-23(12-16-28)29-14-10-20-5-2-3-6-22(20)18-29/h2-3,5-6,8-9,17,23-24H,4,7,10-16,18-19H2,1H3/t24-/m1/s1
InChIKeySVNIAJXDWZRBTM-XMMPIXPASA-N
MW434.58 g/mol
LogP3.36
Rot. Bonds5

About [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methanone

[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methanone (PubChem CID 118183071) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methanone
PubChem CID118183071
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methanone
SMILESCOC[C@H]1CCCN1c1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cn1
InChIInChI=1S/C26H34N4O2/c1-32-19-24-7-4-13-30(24)25-9-8-21(17-27-25)26(31)28-15-11-23(12-16-28)29-14-10-20-5-2-3-6-22(20)18-29/h2-3,5-6,8-9,17,23-24H,4,7,10-16,18-19H2,1H3/t24-/m1/s1
InChIKeySVNIAJXDWZRBTM-XMMPIXPASA-N
XLogP3.36
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methylpyridin-2-yl)nicotinamide
CID 49800159
2-[4-(4-Pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydroisoquinolin-1-one
CID 44582113
ethyl (3-benzyl-2,4-dioxo-3,4-dihydropyrido[2,3-d]pyrimidin-1(2H)-yl)acetate
CID 20879673
N-(oxolan-2-ylmethyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 4105423
[4-(4-Fluorophenyl)piperazin-1-yl]-(1-morpholin-4-ylisoquinolin-4-yl)methanone
CID 16031226
1-{3-[1-(2-Methylbenzoyl)-3-piperidinyl]propanoyl}-4-(2-pyridinyl)piperazine
CID 24791624
2-[3-(4-Pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one
CID 44582461
6-[5-(morpholine-4-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305906
6-[5-[2-methoxyethyl(methyl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667229
[4-(3,4-Dihydroisoquinolin-2(1H)-yl)piperidin-1-yl]{6-[2-(trifluoromethyl)morpholin-4-yl]pyridin-3-yl}methanone
CID 118183056
[4-(7-Fluoro-3,4-dihydroisoquinolin-2(1H)-yl)piperidin-1-yl]{6-[(2-methoxyethyl)amino]pyridin-3-yl}methanone
CID 118183085
{6-[(2,6-Difluorobenzyl)(methyl)amino]pyridin-3-yl}[(3R)-3-methyl-1,4'-bipiperidin-1'-yl]methanone
CID 118190231

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methanone?
The IUPAC name of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methanone (CID 118183071) is [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methanone.
What is the SMILES notation for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methanone?
The canonical SMILES for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methanone is COC[C@H]1CCCN1c1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cn1.
What is the InChIKey of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methanone?
The InChIKey is SVNIAJXDWZRBTM-XMMPIXPASA-N. The full InChI is InChI=1S/C26H34N4O2/c1-32-19-24-7-4-13-30(24)25-9-8-21(17-27-25)26(31)28-15-11-23(12-16-28)29-14-10-20-5-2-3-6-22(20)18-29/h2-3,5-6,8-9,17,23-24H,4,7,10-16,18-19H2,1H3/t24-/m1/s1.
What are the key properties of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methanone?
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methanone has a molecular weight of 434.58 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 118183071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).