6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine

C24H32N6 — CID 90413707

IUPAC6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESCN1CCC(c2cc3c(-c4cccc(NCC5CCN(C)C5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C24H32N6/c1-29-12-8-18(9-13-29)22-14-20-19(6-10-25-24(20)28-22)21-4-3-5-23(27-21)26-15-17-7-11-30(2)16-17/h3-6,10,14,17-18H,7-9,11-13,15-16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyDPQKVYICRPBZMP-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.80
Rot. Bonds5

About 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine

6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine (PubChem CID 90413707) has the molecular formula C24H32N6 and a molecular weight of 404.56 g/mol. Its IUPAC name is 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
PubChem CID90413707
Molecular FormulaC24H32N6
Molecular Weight404.56 g/mol
Exact Mass404.27
IUPAC Name6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESCN1CCC(c2cc3c(-c4cccc(NCC5CCN(C)C5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C24H32N6/c1-29-12-8-18(9-13-29)22-14-20-19(6-10-25-24(20)28-22)21-4-3-5-23(27-21)26-15-17-7-11-30(2)16-17/h3-6,10,14,17-18H,7-9,11-13,15-16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyDPQKVYICRPBZMP-UHFFFAOYSA-N
XLogP3.80
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine (CID 90413707) is 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine is CN1CCC(c2cc3c(-c4cccc(NCC5CCN(C)C5)n4)ccnc3[nH]2)CC1.
What is the InChIKey of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The InChIKey is DPQKVYICRPBZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6/c1-29-12-8-18(9-13-29)22-14-20-19(6-10-25-24(20)28-22)21-4-3-5-23(27-21)26-15-17-7-11-30(2)16-17/h3-6,10,14,17-18H,7-9,11-13,15-16H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine has a molecular weight of 404.56 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 90413707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).