1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea

C23H25N9O2 — CID 67213030

IUPAC1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea
SMILESCC(C)c1cc(C(=O)c2cncc(NC(=O)Nc3cc(C4CC4)nn3C)c2)c2c(N)ncnn12
InChIInChI=1S/C23H25N9O2/c1-12(2)18-7-16(20-22(24)26-11-27-32(18)20)21(33)14-6-15(10-25-9-14)28-23(34)29-19-8-17(13-4-5-13)30-31(19)3/h6-13H,4-5H2,1-3H3,(H2,24,26,27)(H2,28,29,34)
InChIKeyUZYCDLVALBWFBP-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.32
Rot. Bonds6

About 1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea

1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea (PubChem CID 67213030) has the molecular formula C23H25N9O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is 1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea
PubChem CID67213030
Molecular FormulaC23H25N9O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC Name1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea
SMILESCC(C)c1cc(C(=O)c2cncc(NC(=O)Nc3cc(C4CC4)nn3C)c2)c2c(N)ncnn12
InChIInChI=1S/C23H25N9O2/c1-12(2)18-7-16(20-22(24)26-11-27-32(18)20)21(33)14-6-15(10-25-9-14)28-23(34)29-19-8-17(13-4-5-13)30-31(19)3/h6-13H,4-5H2,1-3H3,(H2,24,26,27)(H2,28,29,34)
InChIKeyUZYCDLVALBWFBP-UHFFFAOYSA-N
XLogP3.32
TPSA145.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea?
The IUPAC name of 1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea (CID 67213030) is 1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea.
What is the SMILES notation for 1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea?
The canonical SMILES for 1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea is CC(C)c1cc(C(=O)c2cncc(NC(=O)Nc3cc(C4CC4)nn3C)c2)c2c(N)ncnn12.
What is the InChIKey of 1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea?
The InChIKey is UZYCDLVALBWFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O2/c1-12(2)18-7-16(20-22(24)26-11-27-32(18)20)21(33)14-6-15(10-25-9-14)28-23(34)29-19-8-17(13-4-5-13)30-31(19)3/h6-13H,4-5H2,1-3H3,(H2,24,26,27)(H2,28,29,34).
What are the key properties of 1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea?
1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea has a molecular weight of 459.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-3-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea is sourced from PubChem (CID 67213030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).