3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole

C24H29N7 — CID 137114193

IUPAC3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole
SMILESCN1CCN(c2nccc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)cc45)cc23)CC1
InChIInChI=1S/C24H29N7/c1-30-10-12-31(13-11-30)24-19-15-22(27-20(19)6-9-26-24)23-18-14-17(2-3-21(18)28-29-23)16-4-7-25-8-5-16/h2-3,6,9,14-16,25,27H,4-5,7-8,10-13H2,1H3,(H,28,29)
InChIKeyKQWVVJFBXWHMNK-UHFFFAOYSA-N
MW415.55 g/mol
LogP3.33
Rot. Bonds3

About 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole

3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole (PubChem CID 137114193) has the molecular formula C24H29N7 and a molecular weight of 415.55 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole
PubChem CID137114193
Molecular FormulaC24H29N7
Molecular Weight415.55 g/mol
Exact Mass415.25
IUPAC Name3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole
SMILESCN1CCN(c2nccc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)cc45)cc23)CC1
InChIInChI=1S/C24H29N7/c1-30-10-12-31(13-11-30)24-19-15-22(27-20(19)6-9-26-24)23-18-14-17(2-3-21(18)28-29-23)16-4-7-25-8-5-16/h2-3,6,9,14-16,25,27H,4-5,7-8,10-13H2,1H3,(H,28,29)
InChIKeyKQWVVJFBXWHMNK-UHFFFAOYSA-N
XLogP3.33
TPSA75.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.55
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole
CID 137113789
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 137313037
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137039011
N,N-dimethyl-1-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methanamine
CID 137088022
2-[5-[(2E,4Z)-5-(cyclohexylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine
CID 145252238
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
CID 137110908
3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114900
N-(3-methylbut-1-en-2-yl)-5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137088052
1-[6-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137039745
N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137039475
5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-pent-1-en-2-ylpyridin-3-amine
CID 145252184
1-[5-[2-(5-piperidin-4-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137111736

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole (CID 137114193) is 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole is CN1CCN(c2nccc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)cc45)cc23)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole?
The InChIKey is KQWVVJFBXWHMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7/c1-30-10-12-31(13-11-30)24-19-15-22(27-20(19)6-9-26-24)23-18-14-17(2-3-21(18)28-29-23)16-4-7-25-8-5-16/h2-3,6,9,14-16,25,27H,4-5,7-8,10-13H2,1H3,(H,28,29).
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole?
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole has a molecular weight of 415.55 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole is sourced from PubChem (CID 137114193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).