[4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone

C22H25N7O2 — CID 137124159

IUPAC[4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone
SMILES[H]/N=C(\c1cc2cccc(O)c2[nH]1)c1c(N)ncnc1NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H25N7O2/c23-18(15-10-13-2-1-3-16(30)19(13)28-15)17-20(24)25-11-26-21(17)27-14-6-8-29(9-7-14)22(31)12-4-5-12/h1-3,10-12,14,23,28,30H,4-9H2,(H3,24,25,26,27)/b23-18+
InChIKeyPWVQCYARLSPOIS-PTGBLXJZSA-N
MW419.49 g/mol
LogP2.47
Rot. Bonds5

About [4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone

[4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 137124159) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is [4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone
PubChem CID137124159
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name[4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone
SMILES[H]/N=C(\c1cc2cccc(O)c2[nH]1)c1c(N)ncnc1NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H25N7O2/c23-18(15-10-13-2-1-3-16(30)19(13)28-15)17-20(24)25-11-26-21(17)27-14-6-8-29(9-7-14)22(31)12-4-5-12/h1-3,10-12,14,23,28,30H,4-9H2,(H3,24,25,26,27)/b23-18+
InChIKeyPWVQCYARLSPOIS-PTGBLXJZSA-N
XLogP2.47
TPSA144.01 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone with MolForge

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Related Compounds

1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 143924916
1-[4-[[6-amino-5-(2-amino-1-benzofuran-5-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 123457888
4-[4-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-5-carboximidoyl]benzoic acid
CID 144819373
tert-butyl (3R)-3-[[6-amino-5-(4-aminobenzenecarboximidoyl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
CID 88960620
2-[4-amino-6-(propan-2-ylamino)pyrimidine-5-carboximidoyl]-1H-indol-6-ol
CID 155199618
tert-butyl 3-[[6-amino-5-(4-phenoxybenzenecarboximidoyl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
CID 163936243
1-[3-[[6-amino-5-(4-methoxybenzenecarboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-yn-1-one
CID 123234162
3-[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidoyl]-4-chlorophenol
CID 144832436
tert-butyl 3-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 126660696
3-[[6-amino-5-(5-fluoro-6-prop-2-enoxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]-3,4-dihydro-2H-quinoline-1-carbaldehyde;prop-1-ene
CID 144832358
5-[4-(2-fluorophenoxy)benzenecarboximidoyl]-4-N-(1-piperidin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 166938112
4-N-cyclopentyl-5-(2-methyl-1,3-benzothiazole-6-carboximidoyl)pyrimidine-4,6-diamine
CID 91258608

Frequently Asked Questions

What is the IUPAC name of [4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone (CID 137124159) is [4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone is [H]/N=C(\c1cc2cccc(O)c2[nH]1)c1c(N)ncnc1NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is PWVQCYARLSPOIS-PTGBLXJZSA-N. The full InChI is InChI=1S/C22H25N7O2/c23-18(15-10-13-2-1-3-16(30)19(13)28-15)17-20(24)25-11-26-21(17)27-14-6-8-29(9-7-14)22(31)12-4-5-12/h1-3,10-12,14,23,28,30H,4-9H2,(H3,24,25,26,27)/b23-18+.
What are the key properties of [4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone?
[4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 419.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 137124159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).