5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole

C19H26N6O — CID 95558640

IUPAC5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole
SMILESCCn1cc([C@H]2c3nc[nH]c3CCN2Cc2cc(C(C)C)no2)c(C)n1
InChIInChI=1S/C19H26N6O/c1-5-25-10-15(13(4)22-25)19-18-16(20-11-21-18)6-7-24(19)9-14-8-17(12(2)3)23-26-14/h8,10-12,19H,5-7,9H2,1-4H3,(H,20,21)/t19-/m0/s1
InChIKeyCKGGNVIAYUZHKZ-IBGZPJMESA-N
MW354.46 g/mol
LogP3.19
Rot. Bonds5

About 5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole

5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole (PubChem CID 95558640) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole
PubChem CID95558640
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole
SMILESCCn1cc([C@H]2c3nc[nH]c3CCN2Cc2cc(C(C)C)no2)c(C)n1
InChIInChI=1S/C19H26N6O/c1-5-25-10-15(13(4)22-25)19-18-16(20-11-21-18)6-7-24(19)9-14-8-17(12(2)3)23-26-14/h8,10-12,19H,5-7,9H2,1-4H3,(H,20,21)/t19-/m0/s1
InChIKeyCKGGNVIAYUZHKZ-IBGZPJMESA-N
XLogP3.19
TPSA75.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole (CID 95558640) is 5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole is CCn1cc([C@H]2c3nc[nH]c3CCN2Cc2cc(C(C)C)no2)c(C)n1.
What is the InChIKey of 5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole?
The InChIKey is CKGGNVIAYUZHKZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N6O/c1-5-25-10-15(13(4)22-25)19-18-16(20-11-21-18)6-7-24(19)9-14-8-17(12(2)3)23-26-14/h8,10-12,19H,5-7,9H2,1-4H3,(H,20,21)/t19-/m0/s1.
What are the key properties of 5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole?
5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 354.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 95558640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).