[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid

C22H28N8O2 — CID 66991408

IUPAC[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid
SMILESNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCC[C@@H](N(C(=O)O)C3CCCC3)C2)n1
InChIInChI=1S/C22H28N8O2/c23-20-16-8-7-13(10-18(16)27-28-20)17-11-19(26-21(24)25-17)29-9-3-6-15(12-29)30(22(31)32)14-4-1-2-5-14/h7-8,10-11,14-15H,1-6,9,12H2,(H,31,32)(H3,23,27,28)(H2,24,25,26)/t15-/m1/s1
InChIKeyOIGFCDVLWOYLLP-OAHLLOKOSA-N
MW436.52 g/mol
LogP3.08
Rot. Bonds4

About [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid

[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid (PubChem CID 66991408) has the molecular formula C22H28N8O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid.

Molecular Properties

Compound Name[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid
PubChem CID66991408
Molecular FormulaC22H28N8O2
Molecular Weight436.52 g/mol
Exact Mass436.23
IUPAC Name[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid
SMILESNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCC[C@@H](N(C(=O)O)C3CCCC3)C2)n1
InChIInChI=1S/C22H28N8O2/c23-20-16-8-7-13(10-18(16)27-28-20)17-11-19(26-21(24)25-17)29-9-3-6-15(12-29)30(22(31)32)14-4-1-2-5-14/h7-8,10-11,14-15H,1-6,9,12H2,(H,31,32)(H3,23,27,28)(H2,24,25,26)/t15-/m1/s1
InChIKeyOIGFCDVLWOYLLP-OAHLLOKOSA-N
XLogP3.08
TPSA150.28 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid?
The IUPAC name of [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid (CID 66991408) is [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid.
What is the SMILES notation for [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid?
The canonical SMILES for [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid is Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCC[C@@H](N(C(=O)O)C3CCCC3)C2)n1.
What is the InChIKey of [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid?
The InChIKey is OIGFCDVLWOYLLP-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28N8O2/c23-20-16-8-7-13(10-18(16)27-28-20)17-11-19(26-21(24)25-17)29-9-3-6-15(12-29)30(22(31)32)14-4-1-2-5-14/h7-8,10-11,14-15H,1-6,9,12H2,(H,31,32)(H3,23,27,28)(H2,24,25,26)/t15-/m1/s1.
What are the key properties of [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid?
[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid has a molecular weight of 436.52 g/mol, XLogP of 3.08, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid is sourced from PubChem (CID 66991408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).