6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole

C27H32N6O — CID 67235844

IUPAC6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole
SMILESCOc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C27H32N6O/c1-31-12-14-32(15-13-31)20-7-10-33(11-8-20)27-25(34-2)6-5-22-26(27)21-16-23(29-18-24(21)30-22)19-4-3-9-28-17-19/h3-6,9,16-18,20,30H,7-8,10-15H2,1-2H3
InChIKeyARSAEWCKQOACAN-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.00
Rot. Bonds4

About 6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole

6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole (PubChem CID 67235844) has the molecular formula C27H32N6O and a molecular weight of 456.59 g/mol. Its IUPAC name is 6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole
PubChem CID67235844
Molecular FormulaC27H32N6O
Molecular Weight456.59 g/mol
Exact Mass456.26
IUPAC Name6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole
SMILESCOc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C27H32N6O/c1-31-12-14-32(15-13-31)20-7-10-33(11-8-20)27-25(34-2)6-5-22-26(27)21-16-23(29-18-24(21)30-22)19-4-3-9-28-17-19/h3-6,9,16-18,20,30H,7-8,10-15H2,1-2H3
InChIKeyARSAEWCKQOACAN-UHFFFAOYSA-N
XLogP4.00
TPSA60.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole (CID 67235844) is 6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole is COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1N1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of 6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole?
The InChIKey is ARSAEWCKQOACAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O/c1-31-12-14-32(15-13-31)20-7-10-33(11-8-20)27-25(34-2)6-5-22-26(27)21-16-23(29-18-24(21)30-22)19-4-3-9-28-17-19/h3-6,9,16-18,20,30H,7-8,10-15H2,1-2H3.
What are the key properties of 6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole?
6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole has a molecular weight of 456.59 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 67235844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).