N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C18H26FN9 — CID 143752130

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CC[C@@H](F)C3)n2)CC1
InChIInChI=1S/C18H26FN9/c1-26-6-8-27(9-7-26)17-21-16(20-15-10-14(24-25-15)12-2-3-12)22-18(23-17)28-5-4-13(19)11-28/h10,12-13H,2-9,11H2,1H3,(H2,20,21,22,23,24,25)/t13-/m1/s1
InChIKeyCPTPWHDUBXMEBQ-CYBMUJFWSA-N
MW387.47 g/mol
LogP1.52
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 143752130) has the molecular formula C18H26FN9 and a molecular weight of 387.47 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID143752130
Molecular FormulaC18H26FN9
Molecular Weight387.47 g/mol
Exact Mass387.23
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CC[C@@H](F)C3)n2)CC1
InChIInChI=1S/C18H26FN9/c1-26-6-8-27(9-7-26)17-21-16(20-15-10-14(24-25-15)12-2-3-12)22-18(23-17)28-5-4-13(19)11-28/h10,12-13H,2-9,11H2,1H3,(H2,20,21,22,23,24,25)/t13-/m1/s1
InChIKeyCPTPWHDUBXMEBQ-CYBMUJFWSA-N
XLogP1.52
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 143752130) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CC[C@@H](F)C3)n2)CC1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is CPTPWHDUBXMEBQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26FN9/c1-26-6-8-27(9-7-26)17-21-16(20-15-10-14(24-25-15)12-2-3-12)22-18(23-17)28-5-4-13(19)11-28/h10,12-13H,2-9,11H2,1H3,(H2,20,21,22,23,24,25)/t13-/m1/s1.
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 387.47 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 143752130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).