4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide

C19H24N8O2 — CID 170982367

IUPAC4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
SMILESCNC(=O)c1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(N3CCC[C@@H]3CO)nn12
InChIInChI=1S/C19H24N8O2/c1-20-18(29)15-7-6-14-17(21-16-9-13(23-24-16)11-4-5-11)22-19(25-27(14)15)26-8-2-3-12(26)10-28/h6-7,9,11-12,28H,2-5,8,10H2,1H3,(H,20,29)(H2,21,22,23,24,25)/t12-/m1/s1
InChIKeyYZPKPWDYMSUBCZ-GFCCVEGCSA-N
MW396.46 g/mol
LogP1.39
Rot. Bonds6

About 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide

4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide (PubChem CID 170982367) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
PubChem CID170982367
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC Name4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
SMILESCNC(=O)c1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(N3CCC[C@@H]3CO)nn12
InChIInChI=1S/C19H24N8O2/c1-20-18(29)15-7-6-14-17(21-16-9-13(23-24-16)11-4-5-11)22-19(25-27(14)15)26-8-2-3-12(26)10-28/h6-7,9,11-12,28H,2-5,8,10H2,1H3,(H,20,29)(H2,21,22,23,24,25)/t12-/m1/s1
InChIKeyYZPKPWDYMSUBCZ-GFCCVEGCSA-N
XLogP1.39
TPSA123.47 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide?
The IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide (CID 170982367) is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide.
What is the SMILES notation for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide?
The canonical SMILES for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide is CNC(=O)c1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(N3CCC[C@@H]3CO)nn12.
What is the InChIKey of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide?
The InChIKey is YZPKPWDYMSUBCZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-20-18(29)15-7-6-14-17(21-16-9-13(23-24-16)11-4-5-11)22-19(25-27(14)15)26-8-2-3-12(26)10-28/h6-7,9,11-12,28H,2-5,8,10H2,1H3,(H,20,29)(H2,21,22,23,24,25)/t12-/m1/s1.
What are the key properties of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide?
4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide has a molecular weight of 396.46 g/mol, XLogP of 1.39, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide is sourced from PubChem (CID 170982367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).