(4-tert-butylpiperazin-1-yl)-[2-[[6-(cyclopropylamino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone

C23H30N8O — CID 155527096

IUPAC(4-tert-butylpiperazin-1-yl)-[2-[[6-(cyclopropylamino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone
SMILESCC(C)(C)N1CCN(C(=O)c2ccnc(Nc3nc4cc(NC5CC5)ncc4[nH]3)c2)CC1
InChIInChI=1S/C23H30N8O/c1-23(2,3)31-10-8-30(9-11-31)21(32)15-6-7-24-19(12-15)29-22-27-17-13-20(26-16-4-5-16)25-14-18(17)28-22/h6-7,12-14,16H,4-5,8-11H2,1-3H3,(H,25,26)(H2,24,27,28,29)
InChIKeyIDDCJXJZGVURAE-UHFFFAOYSA-N
MW434.55 g/mol
LogP3.23
Rot. Bonds5

About (4-tert-butylpiperazin-1-yl)-[2-[[6-(cyclopropylamino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone

(4-tert-butylpiperazin-1-yl)-[2-[[6-(cyclopropylamino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone (PubChem CID 155527096) has the molecular formula C23H30N8O and a molecular weight of 434.55 g/mol. Its IUPAC name is (4-tert-butylpiperazin-1-yl)-[2-[[6-(cyclopropylamino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone.

Molecular Properties

Compound Name(4-tert-butylpiperazin-1-yl)-[2-[[6-(cyclopropylamino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone
PubChem CID155527096
Molecular FormulaC23H30N8O
Molecular Weight434.55 g/mol
Exact Mass434.25
IUPAC Name(4-tert-butylpiperazin-1-yl)-[2-[[6-(cyclopropylamino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone
SMILESCC(C)(C)N1CCN(C(=O)c2ccnc(Nc3nc4cc(NC5CC5)ncc4[nH]3)c2)CC1
InChIInChI=1S/C23H30N8O/c1-23(2,3)31-10-8-30(9-11-31)21(32)15-6-7-24-19(12-15)29-22-27-17-13-20(26-16-4-5-16)25-14-18(17)28-22/h6-7,12-14,16H,4-5,8-11H2,1-3H3,(H,25,26)(H2,24,27,28,29)
InChIKeyIDDCJXJZGVURAE-UHFFFAOYSA-N
XLogP3.23
TPSA102.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperazin-1-yl)-[2-[[6-(cyclopropylamino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone?
The IUPAC name of (4-tert-butylpiperazin-1-yl)-[2-[[6-(cyclopropylamino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone (CID 155527096) is (4-tert-butylpiperazin-1-yl)-[2-[[6-(cyclopropylamino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone.
What is the SMILES notation for (4-tert-butylpiperazin-1-yl)-[2-[[6-(cyclopropylamino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone?
The canonical SMILES for (4-tert-butylpiperazin-1-yl)-[2-[[6-(cyclopropylamino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone is CC(C)(C)N1CCN(C(=O)c2ccnc(Nc3nc4cc(NC5CC5)ncc4[nH]3)c2)CC1.
What is the InChIKey of (4-tert-butylpiperazin-1-yl)-[2-[[6-(cyclopropylamino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone?
The InChIKey is IDDCJXJZGVURAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O/c1-23(2,3)31-10-8-30(9-11-31)21(32)15-6-7-24-19(12-15)29-22-27-17-13-20(26-16-4-5-16)25-14-18(17)28-22/h6-7,12-14,16H,4-5,8-11H2,1-3H3,(H,25,26)(H2,24,27,28,29).
What are the key properties of (4-tert-butylpiperazin-1-yl)-[2-[[6-(cyclopropylamino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone?
(4-tert-butylpiperazin-1-yl)-[2-[[6-(cyclopropylamino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone has a molecular weight of 434.55 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperazin-1-yl)-[2-[[6-(cyclopropylamino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone is sourced from PubChem (CID 155527096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).