N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

C32H36N8 — CID 145252560

IUPACN-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
SMILESC=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C32H36N8/c1-21(13-22-7-9-33-10-8-22)36-25-14-24(17-34-18-25)23-5-6-28-27(15-23)32(39-38-28)29-16-26-30(37-29)19-35-20-31(26)40-11-3-2-4-12-40/h5-6,14-20,22,33,36-37H,1-4,7-13H2,(H,38,39)
InChIKeyYPZDVHPERYPTDU-UHFFFAOYSA-N
MW532.70 g/mol
LogP6.47
Rot. Bonds7

About N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145252560) has the molecular formula C32H36N8 and a molecular weight of 532.70 g/mol. Its IUPAC name is N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
PubChem CID145252560
Molecular FormulaC32H36N8
Molecular Weight532.70 g/mol
Exact Mass532.31
IUPAC NameN-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
SMILESC=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C32H36N8/c1-21(13-22-7-9-33-10-8-22)36-25-14-24(17-34-18-25)23-5-6-28-27(15-23)32(39-38-28)29-16-26-30(37-29)19-35-20-31(26)40-11-3-2-4-12-40/h5-6,14-20,22,33,36-37H,1-4,7-13H2,(H,38,39)
InChIKeyYPZDVHPERYPTDU-UHFFFAOYSA-N
XLogP6.47
TPSA97.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.70
LogP ≤ 56.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine with MolForge

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Related Compounds

5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine
CID 145246264
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137115210
N-(3-cyclohexylprop-1-en-2-yl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145252844
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137111811
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137087962
2-piperidin-4-yl-N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137114307
N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137116045
N-(1-cyclobutylethenyl)-5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145308121
N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137111696
N-(3-cyclohexylprop-1-en-2-yl)-5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145253686
N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137116364
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

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The IUPAC name of N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 145252560) is N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.
What is the SMILES notation for N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The canonical SMILES for N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is C=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The InChIKey is YPZDVHPERYPTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8/c1-21(13-22-7-9-33-10-8-22)36-25-14-24(17-34-18-25)23-5-6-28-27(15-23)32(39-38-28)29-16-26-30(37-29)19-35-20-31(26)40-11-3-2-4-12-40/h5-6,14-20,22,33,36-37H,1-4,7-13H2,(H,38,39).
What are the key properties of N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 532.70 g/mol, XLogP of 6.47, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145252560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).