N-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine

C27H31N7 — CID 11363004

IUPACN-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine
SMILESCC(C)N1C[C@@H]2C[C@H]1CN2c1nc(-c2ccnc(N[C@H](C)c3ccccc3)c2)cc2nccn12
InChIInChI=1S/C27H31N7/c1-18(2)33-16-23-14-22(33)17-34(23)27-31-24(15-26-29-11-12-32(26)27)21-9-10-28-25(13-21)30-19(3)20-7-5-4-6-8-20/h4-13,15,18-19,22-23H,14,16-17H2,1-3H3,(H,28,30)/t19-,22+,23+/m1/s1
InChIKeyATQRNTSLYSZOSI-OIBXWCBGSA-N
MW453.59 g/mol
LogP4.64
Rot. Bonds6

About N-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine

N-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine (PubChem CID 11363004) has the molecular formula C27H31N7 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine
PubChem CID11363004
Molecular FormulaC27H31N7
Molecular Weight453.59 g/mol
Exact Mass453.26
IUPAC NameN-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine
SMILESCC(C)N1C[C@@H]2C[C@H]1CN2c1nc(-c2ccnc(N[C@H](C)c3ccccc3)c2)cc2nccn12
InChIInChI=1S/C27H31N7/c1-18(2)33-16-23-14-22(33)17-34(23)27-31-24(15-26-29-11-12-32(26)27)21-9-10-28-25(13-21)30-19(3)20-7-5-4-6-8-20/h4-13,15,18-19,22-23H,14,16-17H2,1-3H3,(H,28,30)/t19-,22+,23+/m1/s1
InChIKeyATQRNTSLYSZOSI-OIBXWCBGSA-N
XLogP4.64
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine?
The IUPAC name of N-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine (CID 11363004) is N-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine?
The canonical SMILES for N-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine is CC(C)N1C[C@@H]2C[C@H]1CN2c1nc(-c2ccnc(N[C@H](C)c3ccccc3)c2)cc2nccn12.
What is the InChIKey of N-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine?
The InChIKey is ATQRNTSLYSZOSI-OIBXWCBGSA-N. The full InChI is InChI=1S/C27H31N7/c1-18(2)33-16-23-14-22(33)17-34(23)27-31-24(15-26-29-11-12-32(26)27)21-9-10-28-25(13-21)30-19(3)20-7-5-4-6-8-20/h4-13,15,18-19,22-23H,14,16-17H2,1-3H3,(H,28,30)/t19-,22+,23+/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine?
N-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine has a molecular weight of 453.59 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine is sourced from PubChem (CID 11363004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).