4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine

C19H19FN8 — CID 71611843

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine
SMILESC[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1nc2cc[nH]c2cc1F
InChIInChI=1S/C19H19FN8/c1-10(18-12(20)8-15-13(24-18)4-6-21-15)23-19-22-7-5-16(26-19)25-17-9-14(27-28-17)11-2-3-11/h4-11,21H,2-3H2,1H3,(H3,22,23,25,26,27,28)/t10-/m0/s1
InChIKeyHISDSBBMGJUNCI-JTQLQIEISA-N
MW378.42 g/mol
LogP4.01
Rot. Bonds6

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 71611843) has the molecular formula C19H19FN8 and a molecular weight of 378.42 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID71611843
Molecular FormulaC19H19FN8
Molecular Weight378.42 g/mol
Exact Mass378.17
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine
SMILESC[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1nc2cc[nH]c2cc1F
InChIInChI=1S/C19H19FN8/c1-10(18-12(20)8-15-13(24-18)4-6-21-15)23-19-22-7-5-16(26-19)25-17-9-14(27-28-17)11-2-3-11/h4-11,21H,2-3H2,1H3,(H3,22,23,25,26,27,28)/t10-/m0/s1
InChIKeyHISDSBBMGJUNCI-JTQLQIEISA-N
XLogP4.01
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine (CID 71611843) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine is C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1nc2cc[nH]c2cc1F.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is HISDSBBMGJUNCI-JTQLQIEISA-N. The full InChI is InChI=1S/C19H19FN8/c1-10(18-12(20)8-15-13(24-18)4-6-21-15)23-19-22-7-5-16(26-19)25-17-9-14(27-28-17)11-2-3-11/h4-11,21H,2-3H2,1H3,(H3,22,23,25,26,27,28)/t10-/m0/s1.
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 378.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 71611843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).