3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine

C22H20N8 — CID 122688198

IUPAC3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine
SMILESCc1cc(Nc2ccc(-c3cnc4ncccn34)cn2)nc2c1ncn2CC1CC1
InChIInChI=1S/C22H20N8/c1-14-9-19(28-21-20(14)26-13-29(21)12-15-3-4-15)27-18-6-5-16(10-24-18)17-11-25-22-23-7-2-8-30(17)22/h2,5-11,13,15H,3-4,12H2,1H3,(H,24,27,28)
InChIKeyVQQCPWHLJXFLOG-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.00
Rot. Bonds5

About 3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine

3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine (PubChem CID 122688198) has the molecular formula C22H20N8 and a molecular weight of 396.46 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine
PubChem CID122688198
Molecular FormulaC22H20N8
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine
SMILESCc1cc(Nc2ccc(-c3cnc4ncccn34)cn2)nc2c1ncn2CC1CC1
InChIInChI=1S/C22H20N8/c1-14-9-19(28-21-20(14)26-13-29(21)12-15-3-4-15)27-18-6-5-16(10-24-18)17-11-25-22-23-7-2-8-30(17)22/h2,5-11,13,15H,3-4,12H2,1H3,(H,24,27,28)
InChIKeyVQQCPWHLJXFLOG-UHFFFAOYSA-N
XLogP4.00
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine (CID 122688198) is 3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine is Cc1cc(Nc2ccc(-c3cnc4ncccn34)cn2)nc2c1ncn2CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine?
The InChIKey is VQQCPWHLJXFLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8/c1-14-9-19(28-21-20(14)26-13-29(21)12-15-3-4-15)27-18-6-5-16(10-24-18)17-11-25-22-23-7-2-8-30(17)22/h2,5-11,13,15H,3-4,12H2,1H3,(H,24,27,28).
What are the key properties of 3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine?
3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine has a molecular weight of 396.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 122688198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).