4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-ylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C17H23N7 — CID 129244953

IUPAC4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-ylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)n1ccc(Nc2nc(N[C@@H](C)C3CC3)c3cc[nH]c3n2)n1
InChIInChI=1S/C17H23N7/c1-10(2)24-9-7-14(23-24)20-17-21-15-13(6-8-18-15)16(22-17)19-11(3)12-4-5-12/h6-12H,4-5H2,1-3H3,(H3,18,19,20,21,22,23)/t11-/m0/s1
InChIKeyCBJZDMMDINAEGQ-NSHDSACASA-N
MW325.42 g/mol
LogP3.69
Rot. Bonds6

About 4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-ylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-ylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 129244953) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-ylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-ylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID129244953
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-ylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)n1ccc(Nc2nc(N[C@@H](C)C3CC3)c3cc[nH]c3n2)n1
InChIInChI=1S/C17H23N7/c1-10(2)24-9-7-14(23-24)20-17-21-15-13(6-8-18-15)16(22-17)19-11(3)12-4-5-12/h6-12H,4-5H2,1-3H3,(H3,18,19,20,21,22,23)/t11-/m0/s1
InChIKeyCBJZDMMDINAEGQ-NSHDSACASA-N
XLogP3.69
TPSA83.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-ylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-ylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 129244953) is 4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-ylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-ylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-ylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is CC(C)n1ccc(Nc2nc(N[C@@H](C)C3CC3)c3cc[nH]c3n2)n1.
What is the InChIKey of 4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-ylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is CBJZDMMDINAEGQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H23N7/c1-10(2)24-9-7-14(23-24)20-17-21-15-13(6-8-18-15)16(22-17)19-11(3)12-4-5-12/h6-12H,4-5H2,1-3H3,(H3,18,19,20,21,22,23)/t11-/m0/s1.
What are the key properties of 4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-ylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-ylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 325.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-ylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 129244953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).