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

C27H36F2N10O3S — CID 143752141

IUPACacetylene;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
SMILESC#C.C#C.O=CNc1nccs1.OCC(F)F.c1c(Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)n[nH]c1C1CC1
InChIInChI=1S/C17H24N8O.C4H4N2OS.C2H4F2O.2C2H2/c1-2-6-24(5-1)16-19-15(18-14-11-13(22-23-14)12-3-4-12)20-17(21-16)25-7-9-26-10-8-25;7-3-6-4-5-1-2-8-4;3-2(4)1-5;2*1-2/h11-12H,1-10H2,(H2,18,19,20,21,22,23);1-3H,(H,5,6,7);2,5H,1H2;2*1-2H
InChIKeyWMWUNQDCYIWYAL-UHFFFAOYSA-N
MW618.72 g/mol
LogP3.11
Rot. Bonds8

About 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

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 (PubChem CID 143752141) has the molecular formula C27H36F2N10O3S and a molecular weight of 618.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameacetylene;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
PubChem CID143752141
Molecular FormulaC27H36F2N10O3S
Molecular Weight618.72 g/mol
Exact Mass618.27
IUPAC Nameacetylene;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
SMILESC#C.C#C.O=CNc1nccs1.OCC(F)F.c1c(Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)n[nH]c1C1CC1
InChIInChI=1S/C17H24N8O.C4H4N2OS.C2H4F2O.2C2H2/c1-2-6-24(5-1)16-19-15(18-14-11-13(22-23-14)12-3-4-12)20-17(21-16)25-7-9-26-10-8-25;7-3-6-4-5-1-2-8-4;3-2(4)1-5;2*1-2/h11-12H,1-10H2,(H2,18,19,20,21,22,23);1-3H,(H,5,6,7);2,5H,1H2;2*1-2H
InChIKeyWMWUNQDCYIWYAL-UHFFFAOYSA-N
XLogP3.11
TPSA157.31 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.72
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C#C.C#C.O=CNc1nccs1.OCC(F)F.c1c(Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)n[nH]c1C1CC1.
What is the InChIKey of 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?
The InChIKey is WMWUNQDCYIWYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O.C4H4N2OS.C2H4F2O.2C2H2/c1-2-6-24(5-1)16-19-15(18-14-11-13(22-23-14)12-3-4-12)20-17(21-16)25-7-9-26-10-8-25;7-3-6-4-5-1-2-8-4;3-2(4)1-5;2*1-2/h11-12H,1-10H2,(H2,18,19,20,21,22,23);1-3H,(H,5,6,7);2,5H,1H2;2*1-2H.
What are the key properties of 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?
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 has a molecular weight of 618.72 g/mol, XLogP of 3.11, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143752141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).