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

C22H29N7 — CID 118704728

IUPAC6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyrazolidin-3-ylmethyl)pyridin-2-amine
SMILESCN1CCC(c2cc3c(-c4cccc(NCC5CCNN5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C22H29N7/c1-29-11-7-15(8-12-29)20-13-18-17(6-9-23-22(18)27-20)19-3-2-4-21(26-19)24-14-16-5-10-25-28-16/h2-4,6,9,13,15-16,25,28H,5,7-8,10-12,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyFCTLFSMXVSCCIC-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.71
Rot. Bonds5

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

6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyrazolidin-3-ylmethyl)pyridin-2-amine (PubChem CID 118704728) has the molecular formula C22H29N7 and a molecular weight of 391.52 g/mol. Its IUPAC name is 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyrazolidin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyrazolidin-3-ylmethyl)pyridin-2-amine
PubChem CID118704728
Molecular FormulaC22H29N7
Molecular Weight391.52 g/mol
Exact Mass391.25
IUPAC Name6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyrazolidin-3-ylmethyl)pyridin-2-amine
SMILESCN1CCC(c2cc3c(-c4cccc(NCC5CCNN5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C22H29N7/c1-29-11-7-15(8-12-29)20-13-18-17(6-9-23-22(18)27-20)19-3-2-4-21(26-19)24-14-16-5-10-25-28-16/h2-4,6,9,13,15-16,25,28H,5,7-8,10-12,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyFCTLFSMXVSCCIC-UHFFFAOYSA-N
XLogP2.71
TPSA80.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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-(pyrazolidin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyrazolidin-3-ylmethyl)pyridin-2-amine (CID 118704728) is 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyrazolidin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyrazolidin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyrazolidin-3-ylmethyl)pyridin-2-amine is CN1CCC(c2cc3c(-c4cccc(NCC5CCNN5)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-(pyrazolidin-3-ylmethyl)pyridin-2-amine?
The InChIKey is FCTLFSMXVSCCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7/c1-29-11-7-15(8-12-29)20-13-18-17(6-9-23-22(18)27-20)19-3-2-4-21(26-19)24-14-16-5-10-25-28-16/h2-4,6,9,13,15-16,25,28H,5,7-8,10-12,14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyrazolidin-3-ylmethyl)pyridin-2-amine?
6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(pyrazolidin-3-ylmethyl)pyridin-2-amine has a molecular weight of 391.52 g/mol, XLogP of 2.71, 5 rotatable bonds, 4 hydrogen bond donors, and 6 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-(pyrazolidin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 118704728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).