N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C23H27N5O — CID 23604253

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H27N5O/c1-14-18(15(2)26-23-22(14)16(3)27-28(23)4)9-10-21(29)24-12-11-17-13-25-20-8-6-5-7-19(17)20/h5-8,13,25H,9-12H2,1-4H3,(H,24,29)
InChIKeyQEVAXPNVMXAVQX-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.67
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 23604253) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID23604253
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H27N5O/c1-14-18(15(2)26-23-22(14)16(3)27-28(23)4)9-10-21(29)24-12-11-17-13-25-20-8-6-5-7-19(17)20/h5-8,13,25H,9-12H2,1-4H3,(H,24,29)
InChIKeyQEVAXPNVMXAVQX-UHFFFAOYSA-N
XLogP3.67
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41359496
N-[2-(1H-indol-3-yl)ethyl]-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796302
N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 6625439
3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 41248653
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(3-chlorophenyl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24665768
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615848
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(naphthalen-1-ylmethyl)propanamide
CID 78862004
3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 43042101
N-(2-methylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615757
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
N-[2-(1H-indol-3-yl)ethyl]-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679216

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 23604253) is N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is QEVAXPNVMXAVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-14-18(15(2)26-23-22(14)16(3)27-28(23)4)9-10-21(29)24-12-11-17-13-25-20-8-6-5-7-19(17)20/h5-8,13,25H,9-12H2,1-4H3,(H,24,29).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 389.50 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 23604253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).