(4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C23H27N7 — CID 176928688

IUPAC(4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1ccc(C)n2nc([C@H]3c4nc[nH]c4CCN3c3ncc(C(C)(C)C)cn3)cc12
InChIInChI=1S/C23H27N7/c1-14-6-7-15(2)30-19(14)10-18(28-30)21-20-17(26-13-27-20)8-9-29(21)22-24-11-16(12-25-22)23(3,4)5/h6-7,10-13,21H,8-9H2,1-5H3,(H,26,27)/t21-/m0/s1
InChIKeyPNHIIGJMQISVJU-NRFANRHFSA-N
MW401.52 g/mol
LogP3.91
Rot. Bonds2

About (4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 176928688) has the molecular formula C23H27N7 and a molecular weight of 401.52 g/mol. Its IUPAC name is (4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID176928688
Molecular FormulaC23H27N7
Molecular Weight401.52 g/mol
Exact Mass401.23
IUPAC Name(4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1ccc(C)n2nc([C@H]3c4nc[nH]c4CCN3c3ncc(C(C)(C)C)cn3)cc12
InChIInChI=1S/C23H27N7/c1-14-6-7-15(2)30-19(14)10-18(28-30)21-20-17(26-13-27-20)8-9-29(21)22-24-11-16(12-25-22)23(3,4)5/h6-7,10-13,21H,8-9H2,1-5H3,(H,26,27)/t21-/m0/s1
InChIKeyPNHIIGJMQISVJU-NRFANRHFSA-N
XLogP3.91
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 176928688) is (4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1ccc(C)n2nc([C@H]3c4nc[nH]c4CCN3c3ncc(C(C)(C)C)cn3)cc12.
What is the InChIKey of (4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is PNHIIGJMQISVJU-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N7/c1-14-6-7-15(2)30-19(14)10-18(28-30)21-20-17(26-13-27-20)8-9-29(21)22-24-11-16(12-25-22)23(3,4)5/h6-7,10-13,21H,8-9H2,1-5H3,(H,26,27)/t21-/m0/s1.
What are the key properties of (4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 401.52 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(5-tert-butylpyrimidin-2-yl)-4-(4,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 176928688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).