acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide

C20H21ClF2N10O — CID 143752078

IUPACacetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide
SMILESC#C.FC1(F)CCN(c2nc(Cl)nc(Nc3cc(C4CC4)[nH]n3)n2)C1.O=CNc1cnccn1
InChIInChI=1S/C13H14ClF2N7.C5H5N3O.C2H2/c14-10-18-11(17-9-5-8(21-22-9)7-1-2-7)20-12(19-10)23-4-3-13(15,16)6-23;9-4-8-5-3-6-1-2-7-5;1-2/h5,7H,1-4,6H2,(H2,17,18,19,20,21,22);1-4H,(H,7,8,9);1-2H
InChIKeyUNGURIGMAWMTSY-UHFFFAOYSA-N
MW490.91 g/mol
LogP3.01
Rot. Bonds6

About acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide

acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide (PubChem CID 143752078) has the molecular formula C20H21ClF2N10O and a molecular weight of 490.91 g/mol. Its IUPAC name is acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide.

Molecular Properties

Compound Nameacetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide
PubChem CID143752078
Molecular FormulaC20H21ClF2N10O
Molecular Weight490.91 g/mol
Exact Mass490.16
IUPAC Nameacetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide
SMILESC#C.FC1(F)CCN(c2nc(Cl)nc(Nc3cc(C4CC4)[nH]n3)n2)C1.O=CNc1cnccn1
InChIInChI=1S/C13H14ClF2N7.C5H5N3O.C2H2/c14-10-18-11(17-9-5-8(21-22-9)7-1-2-7)20-12(19-10)23-4-3-13(15,16)6-23;9-4-8-5-3-6-1-2-7-5;1-2/h5,7H,1-4,6H2,(H2,17,18,19,20,21,22);1-4H,(H,7,8,9);1-2H
InChIKeyUNGURIGMAWMTSY-UHFFFAOYSA-N
XLogP3.01
TPSA137.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.91
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide with MolForge

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Related Compounds

acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide
CID 143752064
acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide
CID 143752175
acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(5-methyl-1,3-thiazol-2-yl)formamide
CID 143752067
(2S,4S)-1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 59436305
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
(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 59436329
acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;2,2-difluoroethanol;N-(1,3-thiazol-2-yl)formamide
CID 143752141
(4R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[4-(2-methoxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 143752072
ethyl N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]piperidin-3-yl]carbamate
CID 59436428
2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane
CID 154687421
(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 59436417
6-(azetidin-1-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 143752054

Frequently Asked Questions

What is the IUPAC name of acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide?
The IUPAC name of acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide (CID 143752078) is acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide.
What is the SMILES notation for acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide?
The canonical SMILES for acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide is C#C.FC1(F)CCN(c2nc(Cl)nc(Nc3cc(C4CC4)[nH]n3)n2)C1.O=CNc1cnccn1.
What is the InChIKey of acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide?
The InChIKey is UNGURIGMAWMTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2N7.C5H5N3O.C2H2/c14-10-18-11(17-9-5-8(21-22-9)7-1-2-7)20-12(19-10)23-4-3-13(15,16)6-23;9-4-8-5-3-6-1-2-7-5;1-2/h5,7H,1-4,6H2,(H2,17,18,19,20,21,22);1-4H,(H,7,8,9);1-2H.
What are the key properties of acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide?
acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide has a molecular weight of 490.91 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide is sourced from PubChem (CID 143752078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).