[(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol

C17H25N5O — CID 154737564

IUPAC[(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol
SMILESCC(C)n1cc([C@@H]2CN(Cc3ccnc(N)c3)C[C@H]2CO)cn1
InChIInChI=1S/C17H25N5O/c1-12(2)22-9-14(6-20-22)16-10-21(8-15(16)11-23)7-13-3-4-19-17(18)5-13/h3-6,9,12,15-16,23H,7-8,10-11H2,1-2H3,(H2,18,19)/t15-,16-/m0/s1
InChIKeyQMYKYLRDAKRHIO-HOTGVXAUSA-N
MW315.42 g/mol
LogP1.65
Rot. Bonds5

About [(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol

[(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 154737564) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is [(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol
PubChem CID154737564
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name[(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol
SMILESCC(C)n1cc([C@@H]2CN(Cc3ccnc(N)c3)C[C@H]2CO)cn1
InChIInChI=1S/C17H25N5O/c1-12(2)22-9-14(6-20-22)16-10-21(8-15(16)11-23)7-13-3-4-19-17(18)5-13/h3-6,9,12,15-16,23H,7-8,10-11H2,1-2H3,(H2,18,19)/t15-,16-/m0/s1
InChIKeyQMYKYLRDAKRHIO-HOTGVXAUSA-N
XLogP1.65
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol 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

[(3S,4R)-1-[(4-aminopyrimidin-2-yl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 167911871
[(3S,4R)-1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120949458
[(3S,4R)-1-[(2-ethylpyrazol-3-yl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120949469
[(3S,4R)-1-[[4-(hydroxymethyl)phenyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120581535
1-[(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 167932537
[(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 120965611
[(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120929923
[(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone
CID 120965616
2-[(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]quinoline-6-carbonitrile
CID 154870316
(3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 100698843
4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633710
4-[(4-ethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62465934

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol (CID 154737564) is [(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol is CC(C)n1cc([C@@H]2CN(Cc3ccnc(N)c3)C[C@H]2CO)cn1.
What is the InChIKey of [(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is QMYKYLRDAKRHIO-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12(2)22-9-14(6-20-22)16-10-21(8-15(16)11-23)7-13-3-4-19-17(18)5-13/h3-6,9,12,15-16,23H,7-8,10-11H2,1-2H3,(H2,18,19)/t15-,16-/m0/s1.
What are the key properties of [(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol?
[(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 315.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 154737564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).