(3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol

C19H28N6O2 — CID 129264729

IUPAC(3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol
SMILESC=C(O)[C@@H](C(C)C)[C@H](Cc1ccc(N2CCC[C@H]2CO)nc1)c1nn[nH]n1
InChIInChI=1S/C19H28N6O2/c1-12(2)18(13(3)27)16(19-21-23-24-22-19)9-14-6-7-17(20-10-14)25-8-4-5-15(25)11-26/h6-7,10,12,15-16,18,26-27H,3-5,8-9,11H2,1-2H3,(H,21,22,23,24)/t15-,16-,18+/m0/s1
InChIKeyWOWBKXVJHHATJE-XYJFISCASA-N
MW372.47 g/mol
LogP2.23
Rot. Bonds8

About (3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol

(3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol (PubChem CID 129264729) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol.

Molecular Properties

Compound Name(3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol
PubChem CID129264729
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name(3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol
SMILESC=C(O)[C@@H](C(C)C)[C@H](Cc1ccc(N2CCC[C@H]2CO)nc1)c1nn[nH]n1
InChIInChI=1S/C19H28N6O2/c1-12(2)18(13(3)27)16(19-21-23-24-22-19)9-14-6-7-17(20-10-14)25-8-4-5-15(25)11-26/h6-7,10,12,15-16,18,26-27H,3-5,8-9,11H2,1-2H3,(H,21,22,23,24)/t15-,16-,18+/m0/s1
InChIKeyWOWBKXVJHHATJE-XYJFISCASA-N
XLogP2.23
TPSA111.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol 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

3-(2,3-dihydro-1H-tetrazol-5-yl)-4-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-2-propan-2-ylbutanoic acid
CID 123452218
(3S,4S)-5-[6-(2-amino-3-hydroxypropoxy)-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol
CID 129264747
ethane;(2S)-2-[(1S)-2-[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]-4-methylpentanoic acid
CID 144957731
2-[2-[6-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]-4-methylpentanoic acid
CID 123642553
[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140
[1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 61409466
[1-(5-iodo-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 68796392
[(2S)-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 45249597
(2S,3S)-4-[6-(2,5-dihydro-1H-pyrrol-3-yl)-3-pyridinyl]-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid
CID 118506380
1-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80633955
[1-(5-tert-butyl-2-pyridinyl)piperidin-2-yl]methanol
CID 107875282
(2S)-2-[(1S)-2-[6-[3-(aminomethyl)pyrrolidin-1-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]-4-methylpentanoic acid;(2S)-4-methyl-2-[(1S)-2-[6-[3-(methylcarbamoyl)pyrrolidin-1-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 144957353

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol?
The IUPAC name of (3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol (CID 129264729) is (3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol.
What is the SMILES notation for (3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol?
The canonical SMILES for (3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol is C=C(O)[C@@H](C(C)C)[C@H](Cc1ccc(N2CCC[C@H]2CO)nc1)c1nn[nH]n1.
What is the InChIKey of (3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol?
The InChIKey is WOWBKXVJHHATJE-XYJFISCASA-N. The full InChI is InChI=1S/C19H28N6O2/c1-12(2)18(13(3)27)16(19-21-23-24-22-19)9-14-6-7-17(20-10-14)25-8-4-5-15(25)11-26/h6-7,10,12,15-16,18,26-27H,3-5,8-9,11H2,1-2H3,(H,21,22,23,24)/t15-,16-,18+/m0/s1.
What are the key properties of (3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol?
(3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol has a molecular weight of 372.47 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-5-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol is sourced from PubChem (CID 129264729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).