N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide

C22H27N9OS — CID 143606496

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide
SMILESC[C@@H]1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)C1.Cc1cc(NC=O)sn1
InChIInChI=1S/C17H21N7.C5H6N2OS/c1-11-6-8-23(10-11)17-19-16(14-3-2-7-24(14)22-17)18-15-9-13(20-21-15)12-4-5-12;1-4-2-5(6-3-8)9-7-4/h2-3,7,9,11-12H,4-6,8,10H2,1H3,(H2,18,19,20,21,22);2-3H,1H3,(H,6,8)/t11-;/m1./s1
InChIKeyMNWUSNOGNXBSOD-RFVHGSKJSA-N
MW465.59 g/mol
LogP3.94
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide (PubChem CID 143606496) has the molecular formula C22H27N9OS and a molecular weight of 465.59 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide
PubChem CID143606496
Molecular FormulaC22H27N9OS
Molecular Weight465.59 g/mol
Exact Mass465.21
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide
SMILESC[C@@H]1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)C1.Cc1cc(NC=O)sn1
InChIInChI=1S/C17H21N7.C5H6N2OS/c1-11-6-8-23(10-11)17-19-16(14-3-2-7-24(14)22-17)18-15-9-13(20-21-15)12-4-5-12;1-4-2-5(6-3-8)9-7-4/h2-3,7,9,11-12H,4-6,8,10H2,1H3,(H2,18,19,20,21,22);2-3H,1H3,(H,6,8)/t11-;/m1./s1
InChIKeyMNWUSNOGNXBSOD-RFVHGSKJSA-N
XLogP3.94
TPSA116.13 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide with MolForge

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Related Compounds

acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene
CID 143606397
acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl formate
CID 143606516
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58095931
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 78030389
acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,3-difluoropyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3R)-1-methylpiperidin-3-yl]formamide
CID 143606497
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide
CID 143606616
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-oxa-5-azabicyclo[2.2.0]hexan-3-one
CID 89150058
N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide
CID 68841525
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-ethylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 143606522
2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 68840389
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,2-dimethylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(1,3,4-thiadiazol-2-yl)acetaldehyde
CID 123341732
1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]-2-(oxan-4-yl)ethanone
CID 58277599

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide (CID 143606496) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide is C[C@@H]1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)C1.Cc1cc(NC=O)sn1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide?
The InChIKey is MNWUSNOGNXBSOD-RFVHGSKJSA-N. The full InChI is InChI=1S/C17H21N7.C5H6N2OS/c1-11-6-8-23(10-11)17-19-16(14-3-2-7-24(14)22-17)18-15-9-13(20-21-15)12-4-5-12;1-4-2-5(6-3-8)9-7-4/h2-3,7,9,11-12H,4-6,8,10H2,1H3,(H2,18,19,20,21,22);2-3H,1H3,(H,6,8)/t11-;/m1./s1.
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide has a molecular weight of 465.59 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide is sourced from PubChem (CID 143606496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).