N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide

C25H30N8O5 — CID 146604709

IUPACN-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCOc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)N1CCOCC1)CC2
InChIInChI=1S/C25H30N8O5/c1-16(15-34)33-23(28-29-30-33)20-4-3-5-22(26-20)27-24(35)19-12-18-14-32(7-6-17(18)13-21(19)37-2)25(36)31-8-10-38-11-9-31/h3-5,12-13,16,34H,6-11,14-15H2,1-2H3,(H,26,27,35)/t16-/m1/s1
InChIKeyQRKVDXPTZMBMOA-MRXNPFEDSA-N
MW522.57 g/mol
LogP1.36
Rot. Bonds6

About N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide

N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide (PubChem CID 146604709) has the molecular formula C25H30N8O5 and a molecular weight of 522.57 g/mol. Its IUPAC name is N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
PubChem CID146604709
Molecular FormulaC25H30N8O5
Molecular Weight522.57 g/mol
Exact Mass522.23
IUPAC NameN-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCOc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)N1CCOCC1)CC2
InChIInChI=1S/C25H30N8O5/c1-16(15-34)33-23(28-29-30-33)20-4-3-5-22(26-20)27-24(35)19-12-18-14-32(7-6-17(18)13-21(19)37-2)25(36)31-8-10-38-11-9-31/h3-5,12-13,16,34H,6-11,14-15H2,1-2H3,(H,26,27,35)/t16-/m1/s1
InChIKeyQRKVDXPTZMBMOA-MRXNPFEDSA-N
XLogP1.36
TPSA147.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.57
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The IUPAC name of N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide (CID 146604709) is N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide.
What is the SMILES notation for N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The canonical SMILES for N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide is COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)N1CCOCC1)CC2.
What is the InChIKey of N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The InChIKey is QRKVDXPTZMBMOA-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H30N8O5/c1-16(15-34)33-23(28-29-30-33)20-4-3-5-22(26-20)27-24(35)19-12-18-14-32(7-6-17(18)13-21(19)37-2)25(36)31-8-10-38-11-9-31/h3-5,12-13,16,34H,6-11,14-15H2,1-2H3,(H,26,27,35)/t16-/m1/s1.
What are the key properties of N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide has a molecular weight of 522.57 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide is sourced from PubChem (CID 146604709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).