3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine

C18H23N7 — CID 95871571

IUPAC3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine
SMILESCCCn1ccnc1[C@@H]1c2nc[nH]c2CCN1Cc1cccnc1N
InChIInChI=1S/C18H23N7/c1-2-8-24-10-7-21-18(24)16-15-14(22-12-23-15)5-9-25(16)11-13-4-3-6-20-17(13)19/h3-4,6-7,10,12,16H,2,5,8-9,11H2,1H3,(H2,19,20)(H,22,23)/t16-/m0/s1
InChIKeySQDKIUAWFFEXLT-INIZCTEOSA-N
MW337.43 g/mol
LogP2.14
Rot. Bonds5

About 3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine

3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine (PubChem CID 95871571) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine
PubChem CID95871571
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine
SMILESCCCn1ccnc1[C@@H]1c2nc[nH]c2CCN1Cc1cccnc1N
InChIInChI=1S/C18H23N7/c1-2-8-24-10-7-21-18(24)16-15-14(22-12-23-15)5-9-25(16)11-13-4-3-6-20-17(13)19/h3-4,6-7,10,12,16H,2,5,8-9,11H2,1H3,(H2,19,20)(H,22,23)/t16-/m0/s1
InChIKeySQDKIUAWFFEXLT-INIZCTEOSA-N
XLogP2.14
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine?
The IUPAC name of 3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine (CID 95871571) is 3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine is CCCn1ccnc1[C@@H]1c2nc[nH]c2CCN1Cc1cccnc1N.
What is the InChIKey of 3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine?
The InChIKey is SQDKIUAWFFEXLT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N7/c1-2-8-24-10-7-21-18(24)16-15-14(22-12-23-15)5-9-25(16)11-13-4-3-6-20-17(13)19/h3-4,6-7,10,12,16H,2,5,8-9,11H2,1H3,(H2,19,20)(H,22,23)/t16-/m0/s1.
What are the key properties of 3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine?
3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine has a molecular weight of 337.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4S)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 95871571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).