ethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

C57H54N16 — CID 145251075

IUPACethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
SMILESCC.CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)nccc5[nH]4)c3n2)c1.c1cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)cc23)ccn1
InChIInChI=1S/C29H26N8.C26H22N8.C2H6/c1-2-12-37(13-3-1)18-19-14-21(17-31-16-19)23-4-5-25-28(34-23)29(36-35-25)26-15-22-24(33-26)8-11-32-27(22)20-6-9-30-10-7-20;1-15(2)30-18-11-17(13-28-14-18)20-3-4-22-25(32-20)26(34-33-22)23-12-19-21(31-23)7-10-29-24(19)16-5-8-27-9-6-16;1-2/h4-11,14-17,33H,1-3,12-13,18H2,(H,35,36);3-15,30-31H,1-2H3,(H,33,34);1-2H3
InChIKeyAFNYWCGNVHDLAO-UHFFFAOYSA-N
MW963.17 g/mol
LogP12.08
Rot. Bonds10

About ethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

ethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 145251075) has the molecular formula C57H54N16 and a molecular weight of 963.17 g/mol. Its IUPAC name is ethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

Compound Nameethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
PubChem CID145251075
Molecular FormulaC57H54N16
Molecular Weight963.17 g/mol
Exact Mass962.47
IUPAC Nameethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
SMILESCC.CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)nccc5[nH]4)c3n2)c1.c1cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)cc23)ccn1
InChIInChI=1S/C29H26N8.C26H22N8.C2H6/c1-2-12-37(13-3-1)18-19-14-21(17-31-16-19)23-4-5-25-28(34-23)29(36-35-25)26-15-22-24(33-26)8-11-32-27(22)20-6-9-30-10-7-20;1-15(2)30-18-11-17(13-28-14-18)20-3-4-22-25(32-20)26(34-33-22)23-12-19-21(31-23)7-10-29-24(19)16-5-8-27-9-6-16;1-2/h4-11,14-17,33H,1-3,12-13,18H2,(H,35,36);3-15,30-31H,1-2H3,(H,33,34);1-2H3
InChIKeyAFNYWCGNVHDLAO-UHFFFAOYSA-N
XLogP12.08
TPSA207.33 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500963.17
LogP ≤ 512.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze ethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

meso-Tetrakis(2-N-methylpyridyl)porphine
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CID 4234
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CID 71253727
(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
5-(6-methylpyrazin-2-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71254178
(3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine
CID 71253520
3-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253646
5-(1-methylpyrazol-4-yl)-3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 71253921
3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-5-piperidin-1-yl-1H-pyrazolo[3,4-c]pyridine
CID 168291026
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039626
2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137110717
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Frequently Asked Questions

What is the IUPAC name of ethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The IUPAC name of ethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 145251075) is ethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.
What is the SMILES notation for ethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The canonical SMILES for ethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is CC.CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)nccc5[nH]4)c3n2)c1.c1cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)cc23)ccn1.
What is the InChIKey of ethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The InChIKey is AFNYWCGNVHDLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8.C26H22N8.C2H6/c1-2-12-37(13-3-1)18-19-14-21(17-31-16-19)23-4-5-25-28(34-23)29(36-35-25)26-15-22-24(33-26)8-11-32-27(22)20-6-9-30-10-7-20;1-15(2)30-18-11-17(13-28-14-18)20-3-4-22-25(32-20)26(34-33-22)23-12-19-21(31-23)7-10-29-24(19)16-5-8-27-9-6-16;1-2/h4-11,14-17,33H,1-3,12-13,18H2,(H,35,36);3-15,30-31H,1-2H3,(H,33,34);1-2H3.
What are the key properties of ethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
ethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 963.17 g/mol, XLogP of 12.08, 10 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145251075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).