(2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide

C26H35N9O — CID 66971479

IUPAC(2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide
SMILESCC1(c2cc(Nc3nc(N4CCC[C@H]4C(=O)N[C@@H]4CCCN(C5CC5)C4)nc4cccn34)n[nH]2)CC1
InChIInChI=1S/C26H35N9O/c1-26(10-11-26)20-15-21(32-31-20)28-24-30-25(29-22-7-4-14-35(22)24)34-13-3-6-19(34)23(36)27-17-5-2-12-33(16-17)18-8-9-18/h4,7,14-15,17-19H,2-3,5-6,8-13,16H2,1H3,(H,27,36)(H2,28,29,30,31,32)/t17-,19+/m1/s1
InChIKeyRGFHDHRLIVXBFC-MJGOQNOKSA-N
MW489.63 g/mol
LogP2.96
Rot. Bonds7

About (2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide

(2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 66971479) has the molecular formula C26H35N9O and a molecular weight of 489.63 g/mol. Its IUPAC name is (2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide
PubChem CID66971479
Molecular FormulaC26H35N9O
Molecular Weight489.63 g/mol
Exact Mass489.30
IUPAC Name(2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide
SMILESCC1(c2cc(Nc3nc(N4CCC[C@H]4C(=O)N[C@@H]4CCCN(C5CC5)C4)nc4cccn34)n[nH]2)CC1
InChIInChI=1S/C26H35N9O/c1-26(10-11-26)20-15-21(32-31-20)28-24-30-25(29-22-7-4-14-35(22)24)34-13-3-6-19(34)23(36)27-17-5-2-12-33(16-17)18-8-9-18/h4,7,14-15,17-19H,2-3,5-6,8-13,16H2,1H3,(H,27,36)(H2,28,29,30,31,32)/t17-,19+/m1/s1
InChIKeyRGFHDHRLIVXBFC-MJGOQNOKSA-N
XLogP2.96
TPSA106.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.63
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-1-[4-[[5-(1-hydroxycyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxylic acid
CID 66971752
1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[1-(2-methoxyethyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 68842675
(2S)-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide
CID 66971583
1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[1-(oxan-4-yl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 76590918
4-[[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carbonyl]amino]benzoic acid
CID 66971760
N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide
CID 68842046
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N,N,2-trimethylpyrrolidine-2-carboxamide
CID 66971627
N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
CID 68844084
N-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidine-2-carboxamide
CID 163729061
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(4-fluorophenyl)-2-methylpyrrolidine-2-carboxamide
CID 66971719
(2S,4S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-methoxypyrrolidine-2-carboxamide
CID 59436355
N-(4-propan-2-ylphenyl)-3-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
CID 68841047

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide (CID 66971479) is (2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide is CC1(c2cc(Nc3nc(N4CCC[C@H]4C(=O)N[C@@H]4CCCN(C5CC5)C4)nc4cccn34)n[nH]2)CC1.
What is the InChIKey of (2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is RGFHDHRLIVXBFC-MJGOQNOKSA-N. The full InChI is InChI=1S/C26H35N9O/c1-26(10-11-26)20-15-21(32-31-20)28-24-30-25(29-22-7-4-14-35(22)24)34-13-3-6-19(34)23(36)27-17-5-2-12-33(16-17)18-8-9-18/h4,7,14-15,17-19H,2-3,5-6,8-13,16H2,1H3,(H,27,36)(H2,28,29,30,31,32)/t17-,19+/m1/s1.
What are the key properties of (2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 489.63 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 66971479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).