5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine

C19H18FN7 — CID 134518575

IUPAC5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[C@@H](c1cn(-c2ccccc2F)nn1)n1cc(C2CC2)c2c(N)ncnc21
InChIInChI=1S/C19H18FN7/c1-11(15-9-27(25-24-15)16-5-3-2-4-14(16)20)26-8-13(12-6-7-12)17-18(21)22-10-23-19(17)26/h2-5,8-12H,6-7H2,1H3,(H2,21,22,23)/t11-/m0/s1
InChIKeyNJNRFSKQWVCTHE-NSHDSACASA-N
MW363.40 g/mol
LogP3.22
Rot. Bonds4

About 5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine

5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 134518575) has the molecular formula C19H18FN7 and a molecular weight of 363.40 g/mol. Its IUPAC name is 5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID134518575
Molecular FormulaC19H18FN7
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[C@@H](c1cn(-c2ccccc2F)nn1)n1cc(C2CC2)c2c(N)ncnc21
InChIInChI=1S/C19H18FN7/c1-11(15-9-27(25-24-15)16-5-3-2-4-14(16)20)26-8-13(12-6-7-12)17-18(21)22-10-23-19(17)26/h2-5,8-12H,6-7H2,1H3,(H2,21,22,23)/t11-/m0/s1
InChIKeyNJNRFSKQWVCTHE-NSHDSACASA-N
XLogP3.22
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 134518575) is 5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine is C[C@@H](c1cn(-c2ccccc2F)nn1)n1cc(C2CC2)c2c(N)ncnc21.
What is the InChIKey of 5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NJNRFSKQWVCTHE-NSHDSACASA-N. The full InChI is InChI=1S/C19H18FN7/c1-11(15-9-27(25-24-15)16-5-3-2-4-14(16)20)26-8-13(12-6-7-12)17-18(21)22-10-23-19(17)26/h2-5,8-12H,6-7H2,1H3,(H2,21,22,23)/t11-/m0/s1.
What are the key properties of 5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 363.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134518575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).