6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one

C21H21N9O — CID 50923878

IUPAC6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1
InChIInChI=1S/C21H21N9O/c22-19-14(20-26-15-6-17-18(7-16(15)27-20)29-21(31)28-17)5-11(8-24-19)12-9-25-30(10-12)13-1-3-23-4-2-13/h5-10,13,23H,1-4H2,(H2,22,24)(H,26,27)(H2,28,29,31)
InChIKeyBSGPHTTWIPRKET-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.16
Rot. Bonds3

About 6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one

6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one (PubChem CID 50923878) has the molecular formula C21H21N9O and a molecular weight of 415.46 g/mol. Its IUPAC name is 6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one.

Molecular Properties

Compound Name6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one
PubChem CID50923878
Molecular FormulaC21H21N9O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC Name6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1
InChIInChI=1S/C21H21N9O/c22-19-14(20-26-15-6-17-18(7-16(15)27-20)29-21(31)28-17)5-11(8-24-19)12-9-25-30(10-12)13-1-3-23-4-2-13/h5-10,13,23H,1-4H2,(H2,22,24)(H,26,27)(H2,28,29,31)
InChIKeyBSGPHTTWIPRKET-UHFFFAOYSA-N
XLogP2.16
TPSA146.09 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one?
The IUPAC name of 6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one (CID 50923878) is 6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one.
What is the SMILES notation for 6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one?
The canonical SMILES for 6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1.
What is the InChIKey of 6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one?
The InChIKey is BSGPHTTWIPRKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9O/c22-19-14(20-26-15-6-17-18(7-16(15)27-20)29-21(31)28-17)5-11(8-24-19)12-9-25-30(10-12)13-1-3-23-4-2-13/h5-10,13,23H,1-4H2,(H2,22,24)(H,26,27)(H2,28,29,31).
What are the key properties of 6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one?
6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one has a molecular weight of 415.46 g/mol, XLogP of 2.16, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one is sourced from PubChem (CID 50923878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).