3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide

C27H23N9O — CID 166271743

IUPAC3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCC1CN(c2ncnc3[nH]ncc23)c2ccccc21)c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C27H23N9O/c37-27(23-11-22(33-34-23)19-12-29-21-7-3-1-6-18(19)21)28-10-9-16-14-36(24-8-4-2-5-17(16)24)26-20-13-32-35-25(20)30-15-31-26/h1-8,11-13,15-16,29H,9-10,14H2,(H,28,37)(H,33,34)(H,30,31,32,35)
InChIKeyIXNJDZZNAWKSDC-UHFFFAOYSA-N
MW489.54 g/mol
LogP4.28
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide

3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 166271743) has the molecular formula C27H23N9O and a molecular weight of 489.54 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID166271743
Molecular FormulaC27H23N9O
Molecular Weight489.54 g/mol
Exact Mass489.20
IUPAC Name3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCC1CN(c2ncnc3[nH]ncc23)c2ccccc21)c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C27H23N9O/c37-27(23-11-22(33-34-23)19-12-29-21-7-3-1-6-18(19)21)28-10-9-16-14-36(24-8-4-2-5-17(16)24)26-20-13-32-35-25(20)30-15-31-26/h1-8,11-13,15-16,29H,9-10,14H2,(H,28,37)(H,33,34)(H,30,31,32,35)
InChIKeyIXNJDZZNAWKSDC-UHFFFAOYSA-N
XLogP4.28
TPSA131.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 54.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 166271726
N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
CID 155954366
N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
CID 136585265
3-(1H-indol-3-yl)-N-(1,4,4-trimethylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide
CID 154870074
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
CID 166327720
3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135954578
(2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 167982527
2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine
CID 63235981
6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109352252
N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 136554520
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid
CID 82481705

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide (CID 166271743) is 3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide is O=C(NCCC1CN(c2ncnc3[nH]ncc23)c2ccccc21)c1cc(-c2c[nH]c3ccccc23)n[nH]1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is IXNJDZZNAWKSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N9O/c37-27(23-11-22(33-34-23)19-12-29-21-7-3-1-6-18(19)21)28-10-9-16-14-36(24-8-4-2-5-17(16)24)26-20-13-32-35-25(20)30-15-31-26/h1-8,11-13,15-16,29H,9-10,14H2,(H,28,37)(H,33,34)(H,30,31,32,35).
What are the key properties of 3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 4.28, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166271743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).