N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide

C34H43N7O3 — CID 22849917

IUPACN-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide
SMILESCCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)[C@@H](O)C3CC3)nnc12
InChIInChI=1S/C34H43N7O3/c1-2-8-27-33-40-39-32(41(33)21-29(37-27)25-12-7-16-36-20-25)26(17-23-11-6-15-35-19-23)34(44)38-28(18-22-9-4-3-5-10-22)31(43)30(42)24-13-14-24/h6-7,11-12,15-16,19-22,24,26,28,30-31,42-43H,2-5,8-10,13-14,17-18H2,1H3,(H,38,44)/t26?,28-,30-,31+/m0/s1
InChIKeyPIULDZSVNNVITF-PEVIECLBSA-N
MW597.76 g/mol
LogP4.45
Rot. Bonds13

About N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide

N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide (PubChem CID 22849917) has the molecular formula C34H43N7O3 and a molecular weight of 597.76 g/mol. Its IUPAC name is N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide
PubChem CID22849917
Molecular FormulaC34H43N7O3
Molecular Weight597.76 g/mol
Exact Mass597.34
IUPAC NameN-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide
SMILESCCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)[C@@H](O)C3CC3)nnc12
InChIInChI=1S/C34H43N7O3/c1-2-8-27-33-40-39-32(41(33)21-29(37-27)25-12-7-16-36-20-25)26(17-23-11-6-15-35-19-23)34(44)38-28(18-22-9-4-3-5-10-22)31(43)30(42)24-13-14-24/h6-7,11-12,15-16,19-22,24,26,28,30-31,42-43H,2-5,8-10,13-14,17-18H2,1H3,(H,38,44)/t26?,28-,30-,31+/m0/s1
InChIKeyPIULDZSVNNVITF-PEVIECLBSA-N
XLogP4.45
TPSA138.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.76
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide (CID 22849917) is N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide is CCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)[C@@H](O)C3CC3)nnc12.
What is the InChIKey of N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide?
The InChIKey is PIULDZSVNNVITF-PEVIECLBSA-N. The full InChI is InChI=1S/C34H43N7O3/c1-2-8-27-33-40-39-32(41(33)21-29(37-27)25-12-7-16-36-20-25)26(17-23-11-6-15-35-19-23)34(44)38-28(18-22-9-4-3-5-10-22)31(43)30(42)24-13-14-24/h6-7,11-12,15-16,19-22,24,26,28,30-31,42-43H,2-5,8-10,13-14,17-18H2,1H3,(H,38,44)/t26?,28-,30-,31+/m0/s1.
What are the key properties of N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide?
N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide has a molecular weight of 597.76 g/mol, XLogP of 4.45, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 22849917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).