7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide

C27H28N6O3 — CID 122608604

IUPAC7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCOc1ccc(-c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(N4CCC[C@@]5(CCN(C)C5=O)C4)c23)cn1
InChIInChI=1S/C27H28N6O3/c1-32-11-9-27(26(32)35)8-3-10-33(15-27)25-22-18-6-4-16(17-5-7-21(36-2)29-13-17)12-20(18)31-23(22)19(14-30-25)24(28)34/h4-7,12-14,31H,3,8-11,15H2,1-2H3,(H2,28,34)/t27-/m1/s1
InChIKeyBKMQPMABCPYXQZ-HHHXNRCGSA-N
MW484.56 g/mol
LogP3.33
Rot. Bonds4

About 7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide

7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 122608604) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID122608604
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC Name7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCOc1ccc(-c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(N4CCC[C@@]5(CCN(C)C5=O)C4)c23)cn1
InChIInChI=1S/C27H28N6O3/c1-32-11-9-27(26(32)35)8-3-10-33(15-27)25-22-18-6-4-16(17-5-7-21(36-2)29-13-17)12-20(18)31-23(22)19(14-30-25)24(28)34/h4-7,12-14,31H,3,8-11,15H2,1-2H3,(H2,28,34)/t27-/m1/s1
InChIKeyBKMQPMABCPYXQZ-HHHXNRCGSA-N
XLogP3.33
TPSA117.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide with MolForge

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Related Compounds

1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-7-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608562
8-fluoro-1-[(6S)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 134520750
8-fluoro-1-[2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608568
1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122604881
1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122604888
1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608572
1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122604763
4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid
CID 122608563
1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608574
4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid
CID 134520748
8-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608581
1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 134534066

Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide (CID 122608604) is 7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide is COc1ccc(-c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(N4CCC[C@@]5(CCN(C)C5=O)C4)c23)cn1.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is BKMQPMABCPYXQZ-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-32-11-9-27(26(32)35)8-3-10-33(15-27)25-22-18-6-4-16(17-5-7-21(36-2)29-13-17)12-20(18)31-23(22)19(14-30-25)24(28)34/h4-7,12-14,31H,3,8-11,15H2,1-2H3,(H2,28,34)/t27-/m1/s1.
What are the key properties of 7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?
7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 122608604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).